data_2mz8_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 2mz8 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 72.43 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -76.25 156.75 33.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.12 111.144 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.34 161.09 28.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 74.23 110.907 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -14.54 36.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.242 . . . . 71.5 112.364 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -61.58 -24.0 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.877 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.09 -25.81 17.28 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 55.02 112.462 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -86.13 152.32 55.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 73.21 110.875 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.42 19.3 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 64.11 112.344 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -63.4 -24.32 67.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 75.23 110.896 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.3 p -68.83 -39.17 80.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.857 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -78.36 -42.89 29.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 72.33 110.825 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.15 -49.38 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.939 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.3 mm -62.29 -43.25 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 61.54 111.112 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -65.34 -38.14 89.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.894 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -71.57 -48.4 48.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.893 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -59.1 -23.1 61.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.01 110.846 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.1 m -66.24 -21.84 66.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.11 111.151 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -7.27 58.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.01 111.075 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.2 mt -102.17 4.25 39.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.94 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.13 -150.38 16.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.683 -0.77 . . . . 73.32 112.464 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.8 20.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 75.24 112.345 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -62.12 122.08 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 75.34 110.962 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 mp -73.89 141.59 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.12 111.135 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -83.44 93.34 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.32 110.89 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.78 124.72 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 72.35 110.936 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.75 -152.99 7.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 71.24 112.492 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -87.66 142.93 27.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 74.15 110.931 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -174.11 138.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.5 -39.87 94.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.957 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.37 146.13 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 72.54 110.84 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -105.59 79.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -139.93 154.46 47.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 62.14 110.908 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -105.75 111.08 23.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.856 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -112.13 128.1 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 64.11 110.897 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -120.55 146.58 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 74.51 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -107.03 112.71 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -106.4 143.83 33.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.917 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 mt -111.02 118.43 36.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.03 -68.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 71.01 111.066 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.7 t -140.66 136.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 75.23 111.118 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.5 m -75.55 147.99 39.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 75.02 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.31 -51.88 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 62.42 111.123 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -130.32 164.59 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -119.91 -32.09 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 74.21 111.151 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.52 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 6.9 mttt -52.5 -58.36 12.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 74.5 110.895 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.75 -171.38 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.725 2.283 . . . . 65.2 112.322 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.77 159.93 65.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.69 . . . . 63.35 111.088 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 72.12 112.339 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -70.67 -21.19 62.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.876 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -84.11 -14.0 51.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 71.53 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -121.28 159.68 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -92.47 164.8 13.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 63.24 110.846 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -125.07 154.58 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 74.3 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -88.85 144.89 25.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.911 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.33 132.27 1.4 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.752 -0.737 . . . . 71.54 112.513 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -89.41 129.49 35.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 75.13 110.942 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -82.98 146.62 28.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 75.02 110.946 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -113.37 112.83 24.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 64.54 110.857 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.36 113.53 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.895 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 pp -117.34 155.29 29.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.923 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -122.36 111.38 16.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.932 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.61 113.7 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.4 111.137 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.49 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 1.4 mm100 -78.27 -173.77 3.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 72.52 110.947 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.49 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 2.7 mt-10 -54.11 -64.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 72.54 110.912 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.17 37.83 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 75.15 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -163.21 172.41 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.892 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -127.85 144.6 51.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.879 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -141.53 136.21 30.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 75.23 111.171 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -124.63 172.56 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.909 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 mtt85 -145.42 153.16 40.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 72.45 110.889 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -91.57 117.68 29.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 70.12 110.916 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -135.81 117.62 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 71.43 110.891 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -93.37 158.59 15.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 72.15 110.868 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 176.27 -143.3 6.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.496 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.9 tt -145.18 145.49 31.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.342 . . . . 75.31 110.922 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -101.33 95.4 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.846 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.22 171.54 12.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.908 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -81.34 -24.99 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 74.01 110.902 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.19 -9.77 59.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.55 19.33 77.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 71.34 112.451 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -98.01 158.81 15.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 64.32 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -68.56 121.8 17.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 73.14 110.919 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.7 m -145.74 111.27 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 63.34 111.117 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.7 m -97.71 120.38 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.133 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -136.67 157.87 74.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.73 . . . . 74.5 111.098 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 149.72 66.85 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.248 . . . . 73.03 112.369 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.4 mm -93.05 115.36 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 71.05 111.146 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -87.11 152.09 22.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.09 104.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.909 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.2 t -54.45 -27.94 40.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 71.42 111.148 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -54.17 -35.98 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 71.42 110.908 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -78.67 -46.08 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.118 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -33.2 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.142 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.92 -34.35 77.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -66.61 -35.97 81.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 72.14 110.825 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.75 -40.94 75.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.932 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.45 -38.38 84.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 64.34 110.901 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -69.63 -50.78 40.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 64.33 110.889 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.0 p -64.01 -27.64 69.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.119 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 tt -58.52 -48.27 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 74.13 110.892 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -47.51 65.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -57.74 -29.38 64.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.935 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -64.68 -43.53 93.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.907 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -70.2 -32.83 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 72.22 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -49.03 76.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.895 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -74.15 -32.5 63.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -35.49 79.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.856 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -66.58 -44.44 82.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.883 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -56.16 -46.78 79.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 75.51 110.821 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.31 -51.7 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.928 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.42 -32.57 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.868 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.08 -30.3 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.49 -30.56 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.888 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.26 -4.65 41.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.912 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 63.29 48.91 3.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.865 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.14 133.1 48.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.857 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.04 140.65 58.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 71.43 111.136 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.2 tp -121.84 141.56 51.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.937 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -145.64 160.23 45.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 74.25 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.35 14.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.262 . . . . 73.44 112.342 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.0 t -81.66 129.72 34.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.85 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -61.77 -18.01 58.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 73.44 110.819 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -76.81 -9.34 58.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.874 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -106.95 136.0 47.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -123.94 74.36 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.881 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.0 t0 53.55 40.73 31.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.867 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -144.53 68.53 14.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 73.24 110.917 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.18 68.85 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 2.258 . . . . 74.24 112.321 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.5 m -53.93 147.83 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.53 111.158 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -75.67 97.49 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 65.45 110.964 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.14 -27.6 61.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 75.24 110.919 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 94.2 p -105.25 58.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.867 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.4 111.088 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.882 0.373 . . . . 74.15 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -88.33 159.92 17.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 75.05 111.151 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.07 153.82 91.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 74.35 110.885 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -17.23 37.81 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 72.02 112.323 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -18.94 58.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.861 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.33 1.17 31.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 73.43 112.538 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.65 150.25 37.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 74.2 110.892 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 125.32 11.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.264 . . . . 74.44 112.336 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -69.21 -50.13 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.7 t -54.49 -36.69 64.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 61.24 110.838 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -46.14 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.853 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.96 -48.86 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.906 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mm -55.7 -48.04 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.152 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -65.35 -47.33 76.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.919 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -57.59 -49.71 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 71.42 110.946 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -58.9 -33.36 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.6 m -63.3 -21.15 66.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 70.12 111.109 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.52 57.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 72.52 111.092 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.0 mt -105.36 4.06 30.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 73.11 110.861 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.13 -145.99 10.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 62.51 112.498 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 165.09 32.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 2.263 . . . . 73.32 112.35 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -63.45 141.37 58.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 75.5 110.931 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.7 mp -94.05 136.35 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 75.25 111.132 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.23 93.78 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.907 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.74 159.3 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.43 110.905 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.95 142.7 9.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 60.43 112.516 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -116.42 55.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 73.04 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 p -119.0 -38.15 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.905 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -158.05 172.44 18.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -74.9 123.11 24.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.813 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -153.97 177.3 11.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.867 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -98.79 160.49 14.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.882 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -68.74 133.45 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 70.41 110.917 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.02 122.21 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 71.15 110.869 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -112.76 134.85 54.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.31 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -106.77 112.64 25.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 60.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.3 m -106.18 105.76 15.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.912 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.3 mt -110.7 89.7 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.938 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.04 -57.44 2.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 62.41 111.14 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 m -138.09 159.42 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 71.41 111.111 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.0 p -83.05 149.68 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.885 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.06 -36.81 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.109 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -178.16 154.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 74.2 110.879 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.48 -11.58 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.142 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.52 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 12.7 mtpt -51.56 -58.27 11.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 75.21 110.86 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.76 160.09 50.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 73.42 112.378 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.67 160.07 1.14 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 75.43 111.08 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -30.65 21.8 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.663 2.242 . . . . 65.31 112.373 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -63.65 -25.6 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.878 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -111.05 16.99 20.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 64.43 110.891 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -72.11 152.04 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 75.14 110.859 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -135.76 154.0 51.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.12 110.878 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -129.21 148.21 51.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.24 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -80.98 155.44 26.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.91 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.02 -178.97 39.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 60.22 112.527 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -133.33 119.97 20.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 75.32 110.915 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -86.16 130.15 34.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 73.14 110.895 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -122.06 116.73 24.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 70.43 110.894 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -113.41 116.85 30.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.905 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.55 159.45 33.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 75.34 110.89 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -128.15 117.0 20.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.4 138.81 20.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 61.21 111.139 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.02 -177.9 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 73.45 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -49.89 -59.77 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.878 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 8.48 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.903 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -122.11 178.07 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.835 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.5 131.59 18.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.846 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -108.46 164.19 12.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 74.14 111.151 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -157.5 143.52 17.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.957 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -149.29 127.5 12.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 75.31 110.902 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -111.49 139.58 46.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.933 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -135.69 145.01 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -91.9 156.6 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.887 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.68 -134.75 4.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 55.42 112.507 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.9 tp -144.8 143.55 30.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.54 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -103.68 96.45 6.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.53 110.854 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.89 170.47 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 70.33 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -20.53 42.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.17 -9.67 59.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.857 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.49 19.12 76.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 72.53 112.502 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -100.66 137.54 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 73.35 110.887 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 15.5 m0 -51.96 121.66 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 64.55 110.964 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.1 m -140.64 108.24 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 75.11 111.152 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.45 120.13 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 74.24 111.146 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.76 158.02 71.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 73.24 111.174 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.22 50.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.708 2.272 . . . . 74.13 112.363 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -97.1 115.34 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 73.42 111.11 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -94.97 155.68 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.98 101.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.921 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -52.86 -27.95 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.107 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.05 -35.17 61.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 73.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.2 t -78.97 -45.91 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.23 111.168 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -33.08 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 74.42 111.109 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -69.91 -32.78 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 65.23 110.914 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -74.56 -35.09 63.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.898 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.81 -45.21 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.931 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.22 -38.66 92.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.9 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -65.93 -47.29 75.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 75.35 110.946 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 p -59.7 -24.88 64.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 71.34 111.178 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 tt -74.79 -40.72 60.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.949 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -71.06 -49.78 41.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.841 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -33.61 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.906 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -72.79 -34.21 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 74.03 110.882 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -41.4 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.869 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.57 -47.84 84.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 74.44 110.908 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -65.97 -31.93 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 73.54 110.954 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -35.93 82.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.93 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -60.01 -41.91 93.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.88 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.19 -46.42 79.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 64.55 110.873 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.71 -50.06 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.84 -36.83 85.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.92 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 25.0 mt -61.74 -37.01 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.1 111.127 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -73.57 -23.24 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.861 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.2 mtm -96.06 -5.06 41.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.888 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 64.04 42.68 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.921 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -109.73 138.14 46.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.933 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -83.76 139.46 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 72.12 111.115 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 tp -129.76 121.1 26.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 63.52 110.891 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -147.56 159.8 40.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.721 . . . . 74.41 110.904 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 171.33 14.59 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.715 2.276 . . . . 74.41 112.361 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.3 m -110.58 125.19 53.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.883 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.25 -22.73 53.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.87 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -95.9 26.41 4.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.866 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -94.59 108.31 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.878 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -122.71 112.49 18.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.908 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -173.78 175.73 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 60.1 110.831 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -113.88 73.81 2.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 75.25 110.89 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.11 54.64 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 74.05 112.345 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 5.3 m -53.84 155.65 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.118 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -95.42 98.59 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.14 -31.05 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.908 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.0 t -89.67 64.73 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 64.12 110.903 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 72.44 111.105 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.863 0.363 . . . . 65.13 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.6 p -134.23 153.83 51.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 72.32 111.097 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.09 161.0 80.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.565 0.697 . . . . 65.33 110.918 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -26.26 27.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.229 . . . . 75.35 112.347 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.61 -19.64 55.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 72.53 110.871 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.36 8.07 27.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 64.24 112.482 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.8 153.07 45.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.613 0.72 . . . . 75.51 110.834 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 124.29 10.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 74.33 112.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -70.66 -57.17 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.929 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.7 m -54.16 -45.94 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.88 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -62.03 -34.91 77.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 75.14 110.904 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mp -73.22 -49.29 28.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.856 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.94 -41.56 77.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 63.44 111.124 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -67.91 -40.5 83.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.25 110.887 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -68.0 -44.06 77.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.11 110.902 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -58.75 -26.6 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.834 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.1 m -63.13 -21.25 66.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 65.42 111.187 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -7.26 58.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 64.51 111.071 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 mt -103.74 4.32 35.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.907 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.24 -150.88 19.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.755 . . . . 72.23 112.476 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.4 18.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 70.13 112.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -61.38 132.53 53.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.947 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.0 mp -79.34 143.86 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 75.13 111.123 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -82.31 93.96 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 75.02 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -51.88 -31.79 29.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.863 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.25 154.74 0.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 55.31 112.465 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -85.79 -49.07 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 75.5 110.928 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.17 160.11 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.872 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -90.99 88.0 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.888 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.8 151.93 31.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 73.41 110.873 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.12 41.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.918 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -138.03 156.91 47.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.866 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -112.76 122.23 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 64.15 110.926 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -93.39 149.18 21.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 65.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -148.73 116.35 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.865 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.08 111.99 24.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.876 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 p -107.06 129.47 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.882 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.7 mt -105.63 90.52 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.55 110.937 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.69 -70.51 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 72.35 111.113 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.36 157.63 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 73.5 111.12 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 t -89.79 135.89 33.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -56.27 -39.64 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 75.12 111.127 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -178.14 171.05 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.0 m -135.18 13.27 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.23 111.129 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -67.21 -58.37 9.13 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.612 0.72 . . . . 72.52 110.912 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.74 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 71.12 112.359 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.43 159.96 84.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 61.42 111.091 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -23.87 30.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 72.03 112.347 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -63.57 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 63.45 110.873 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -113.61 17.14 18.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.872 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.11 144.26 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 75.24 110.85 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -136.99 166.76 22.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.89 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -136.22 146.25 46.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -80.81 155.63 26.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 74.35 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.73 150.29 6.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.779 -0.724 . . . . 71.21 112.492 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -114.92 129.58 56.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.301 . . . . 74.22 110.937 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -91.37 175.59 6.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 72.31 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.8 116.97 7.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.867 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.75 112.35 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.889 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.94 160.06 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.968 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -137.03 126.8 25.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.5 118.93 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.09 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.28 175.54 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.22 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -64.29 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 64.42 110.927 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 36.34 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 75.24 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -168.66 -179.38 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 75.11 110.879 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.87 145.12 44.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.89 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.4 t -126.69 164.38 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.32 111.114 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -151.88 143.67 23.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.941 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -126.93 160.67 30.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -110.71 121.43 45.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.942 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -135.41 119.04 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 64.4 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -91.59 164.15 13.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.919 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.45 -164.64 35.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 64.42 112.473 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.6 tp -123.26 143.49 50.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 72.21 110.94 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -109.43 101.16 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.894 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -79.82 171.45 15.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 75.52 110.846 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -58.36 -29.16 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 65.11 110.887 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -88.67 -9.72 51.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.55 110.861 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.58 18.58 78.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 75.44 112.481 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.94 121.39 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 74.4 110.904 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -60.03 121.64 12.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 71.12 110.943 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.0 m -145.71 114.25 6.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 75.14 111.184 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.8 m -70.46 118.91 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 72.4 111.097 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.28 158.17 76.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 64.24 111.163 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 146.52 60.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 74.44 112.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.91 146.49 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 73.3 111.161 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.35 -176.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 65.41 110.878 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 169.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 64.42 110.847 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -53.3 -27.43 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 71.34 111.161 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -53.39 -42.25 66.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.901 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.8 t -79.72 -48.75 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 72.12 111.115 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.34 -33.29 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.35 111.118 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.29 -36.6 84.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.908 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -62.88 -46.31 88.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 61.31 110.884 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.79 -37.28 73.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.919 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.48 -41.62 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.8 -37.94 89.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 70.25 110.947 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.1 p -73.06 -28.4 62.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 74.15 111.091 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.25 -48.32 82.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.976 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -69.24 -34.88 75.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.916 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -71.87 -29.34 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.872 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -45.72 88.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.924 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -69.83 -32.28 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 74.4 110.883 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.93 -47.73 67.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.862 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -67.1 -33.18 74.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.852 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -33.98 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.32 110.916 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -52.1 -42.82 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.856 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.63 -37.89 88.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 75.14 110.838 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.16 -51.01 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.932 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.42 -39.14 93.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 72.24 110.904 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.95 -31.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.191 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.2 t -73.46 -24.26 60.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 74.3 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.4 mtm -92.14 -3.25 55.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.906 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 64.33 45.81 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.878 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.78 173.07 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 73.41 110.916 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.64 152.37 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.05 111.109 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.4 112.49 17.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.903 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -126.82 157.04 72.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 74.33 110.929 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 170.73 15.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 74.54 112.364 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.1 m -76.19 142.08 41.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 60.23 110.871 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.01 -25.9 46.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 71.34 110.882 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -95.84 25.81 4.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.909 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -111.69 109.09 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.41 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -117.67 -66.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.878 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -158.26 177.35 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 74.51 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 57.71 68.47 1.92 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.659 0.742 . . . . 74.44 110.908 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 158.62 56.31 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.231 . . . . 73.51 112.362 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.21 123.97 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.142 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -64.34 98.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.893 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.23 -36.6 78.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.899 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.6 m -100.57 64.82 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.898 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 73.41 111.111 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.348 . . . . 73.23 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.8 p -75.7 160.02 30.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 74.13 111.173 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.2 mt -63.83 154.13 81.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 73.12 110.911 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -17.08 37.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 71.3 112.326 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -17.97 50.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 71.13 110.816 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.91 28.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 71.1 112.499 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.84 149.22 36.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 73.32 110.849 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 127.23 14.32 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 75.22 112.358 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -32.99 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.935 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 p -68.27 -47.13 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.895 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -62.39 -41.31 98.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.866 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.06 -49.32 78.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.9 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.05 -48.36 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 73.25 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -35.05 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 72.03 110.888 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -72.97 -50.63 22.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 75.41 110.861 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.0 -29.84 67.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 74.43 110.846 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.9 m -59.56 -21.89 60.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 73.52 111.154 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.19 -7.82 59.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.52 111.101 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.0 mt -104.74 4.28 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.91 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.56 -151.31 19.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 55.51 112.491 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.6 21.1 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 63.32 112.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.06 123.67 18.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.923 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.03 138.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 74.23 111.158 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -83.26 102.43 11.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 75.22 110.892 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.47 114.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.86 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.84 175.33 0.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 75.45 112.502 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -57.56 -179.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 74.32 110.934 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 t -51.88 -45.94 64.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -95.48 64.61 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.897 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.49 144.96 35.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 52.24 110.924 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -127.86 -55.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 65.13 110.908 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -113.33 157.91 21.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.55 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -93.71 153.32 18.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.882 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -143.76 119.22 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.845 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.69 142.6 45.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.901 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -106.71 112.83 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.22 110.872 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 t -106.35 128.4 53.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 73.35 110.93 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.5 mt -110.56 108.37 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 71.35 110.934 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.88 -69.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 70.23 111.063 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.37 143.97 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 74.03 111.136 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 p -74.8 155.81 37.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.867 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.8 t -80.68 -51.54 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.4 111.117 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -152.14 168.64 24.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 71.33 110.89 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.5 p -120.26 -8.81 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.114 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 mtpp -51.51 -58.31 11.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.597 0.713 . . . . 71.54 110.914 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.0 Cg_endo -69.78 160.15 50.76 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.23 . . . . 72.25 112.371 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.62 160.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 72.44 111.082 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -36.48 10.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 74.2 112.384 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.13 -25.31 68.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.33 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -110.86 17.0 20.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 75.3 110.883 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -80.73 120.47 24.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.868 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -91.21 142.61 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.863 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -118.33 154.87 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 71.34 110.899 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -81.48 135.97 35.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.904 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.33 167.46 40.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.752 -0.737 . . . . 75.21 112.529 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -133.07 128.46 36.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.744 0.307 . . . . 74.23 110.973 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 41.1 p90 -91.99 167.42 12.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 74.51 110.916 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ttp -134.05 116.71 15.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 73.2 110.894 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -113.26 113.4 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 75.3 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 pp -134.5 159.47 41.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 71.03 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -127.41 111.39 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.905 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.35 141.18 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 75.1 111.07 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -108.08 -179.48 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.915 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.07 -64.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.855 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.56 41.57 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 74.02 110.887 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -158.24 179.72 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.841 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.97 132.88 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 72.31 110.859 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.7 t -111.01 163.99 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.107 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -154.83 143.31 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 72.3 110.936 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -121.2 139.44 53.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 73.44 110.849 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -114.87 103.91 11.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.939 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -135.99 146.79 47.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 73.53 110.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -94.01 160.72 14.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 72.51 110.911 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.98 -160.16 24.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 75.51 112.525 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tt -132.91 145.81 51.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 72.31 110.925 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -108.09 104.94 14.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.886 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.1 179.25 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 73.01 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -76.3 -29.1 57.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.918 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -81.63 -9.76 59.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 71.43 110.88 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.05 19.8 75.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.675 -0.774 . . . . 73.45 112.485 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -89.51 146.59 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 72.13 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -69.41 122.01 18.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.911 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 m -141.68 125.63 17.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.01 111.123 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.8 m -89.66 122.77 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.12 111.076 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 m -142.83 156.9 62.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 74.55 111.157 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.7 69.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 70.02 112.374 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.96 145.47 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 73.11 111.107 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -57.87 -175.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.85 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.48 167.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -53.15 -27.6 21.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 73.02 111.119 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -53.56 -42.14 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.831 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.7 t -79.6 -48.77 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.32 111.126 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -33.14 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.05 111.108 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.91 -37.41 87.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -66.72 -46.7 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.88 -34.87 72.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 71.3 110.882 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.68 -48.76 80.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.17 -50.94 71.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.902 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.5 p -60.26 -30.25 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 73.53 111.157 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 tt -73.72 -45.1 54.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 73.22 110.907 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -69.47 -49.48 54.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.875 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.35 -29.22 65.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.849 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -63.81 -35.09 79.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.858 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -63.38 -32.82 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.833 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -47.53 51.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.04 110.887 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -32.5 74.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.878 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -38.68 88.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.899 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -55.78 -47.89 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.844 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.04 -44.75 83.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.872 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.6 tp -58.99 -52.01 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.97 -33.03 72.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.885 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.1 -32.82 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 73.32 111.132 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -30.92 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.86 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -2.31 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.858 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 63.19 46.89 4.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.873 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.37 153.92 19.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.04 159.61 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.124 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.6 mt -117.55 132.69 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.882 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -156.24 157.53 31.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.632 0.729 . . . . 75.23 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.82 18.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 73.42 112.368 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 t -110.77 -177.77 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 70.11 110.83 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -80.21 -22.94 41.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.27 -9.33 58.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.851 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -91.06 107.59 19.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.895 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -94.21 -74.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.875 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -175.06 179.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 61.21 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 60.95 68.33 1.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 75.54 110.886 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 158.95 55.15 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.719 2.279 . . . . 74.45 112.316 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.01 139.67 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 75.14 111.143 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -67.05 97.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 65.44 110.907 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.3 -34.99 66.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 75.05 110.887 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.3 t -102.98 46.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.869 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 70.24 111.065 179.878 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.852 0.358 . . . . 74.04 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.0 p -76.39 159.71 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.139 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.95 154.18 82.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.55 0.69 . . . . 72.41 110.968 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -17.11 37.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 75.45 112.336 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -20.36 56.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 70.1 110.903 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.14 2.04 31.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 52.05 112.475 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 140.31 22.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 75.12 110.837 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 124.94 11.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 72.44 112.382 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -69.66 -33.39 72.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.25 110.889 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -66.3 -33.71 76.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.843 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -77.91 -34.0 51.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 64.43 110.868 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -73.69 -48.99 28.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.3 mm -54.94 -43.19 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.107 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -67.89 -34.33 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 72.21 110.899 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -71.33 -49.46 42.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.907 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -58.62 -26.74 64.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.883 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.0 m -61.37 -21.66 64.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 72.1 111.129 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.26 -7.33 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.101 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.5 mt -103.54 4.02 35.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.2 110.939 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.03 -150.62 18.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.728 . . . . 73.25 112.494 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.1 19.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 73.12 112.352 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -61.63 129.6 41.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.929 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.56 139.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 75.35 111.161 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -83.75 113.08 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.881 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -52.08 -53.2 45.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 72.15 110.847 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.94 -137.83 13.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 74.2 112.484 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -167.72 -176.17 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 73.31 110.927 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t 62.06 30.4 17.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 60.43 110.921 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 39.45 41.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 70.45 110.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -52.27 157.67 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 53.21 110.861 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -111.16 26.54 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.925 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -135.18 161.09 36.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -110.87 135.59 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 75.42 110.904 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -93.37 147.38 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.904 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -147.97 138.83 23.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 74.5 110.878 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -106.85 113.46 26.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.924 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.1 m -105.32 102.87 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 72.45 110.901 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -104.75 90.42 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.927 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.31 -71.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 63.3 111.058 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.39 145.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.13 111.103 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.6 p -79.53 133.32 36.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.866 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 m -58.45 -39.39 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.24 111.093 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -179.72 -177.1 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.859 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.42 22.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 74.04 111.131 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 16.8 mttm -66.88 -58.42 9.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 74.4 110.959 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.0 Cg_endo -69.77 179.25 3.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 70.35 112.341 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.9 159.58 68.73 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.557 0.694 . . . . 61.44 111.111 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -23.68 30.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 74.44 112.331 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.86 -25.91 59.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -105.91 17.71 23.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.933 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.47 159.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 73.32 110.887 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -136.11 156.68 48.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 65.25 110.834 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -144.17 146.7 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 74.33 110.833 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -81.13 138.6 35.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 75.45 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -166.21 166.29 38.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 70.31 112.461 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -116.1 125.44 52.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 75.23 110.946 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -74.29 151.87 39.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 74.12 110.946 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.4 ttp -140.81 112.88 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -113.42 113.7 25.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.877 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 pp -119.22 156.6 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -131.24 111.58 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.878 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.89 126.37 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 65.42 111.093 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -178.26 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 75.02 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -52.96 -50.16 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.54 110.883 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.15 25.76 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -144.46 177.48 8.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 73.45 110.895 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.6 133.27 34.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 75.12 110.869 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.1 t -138.36 138.84 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 73.51 111.092 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -126.14 171.92 10.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.941 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -129.51 160.75 32.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 61.21 110.866 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -107.54 120.53 42.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.939 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -135.88 145.16 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 72.11 110.904 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.22 155.34 29.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.99 -152.38 19.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.723 -0.751 . . . . 64.34 112.48 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.7 tp -140.67 143.61 35.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 74.34 110.939 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -104.72 113.25 26.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 64.42 110.869 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -97.39 170.11 9.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.62 -16.65 62.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.916 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.17 -9.8 59.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.9 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.54 16.65 71.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 62.32 112.484 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -103.13 121.45 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 70.34 110.886 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -55.74 124.8 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 75.2 110.914 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.7 m -137.87 111.81 8.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 75.34 111.183 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.1 m -77.58 131.03 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 75.12 111.133 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.21 157.88 42.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 75.22 111.157 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 152.3 69.24 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.699 2.266 . . . . 74.01 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.9 mm -96.12 115.22 34.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 72.52 111.117 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -91.13 150.34 21.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 64.13 103.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.05 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -54.26 -27.87 37.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 65.55 111.171 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -53.58 -35.43 60.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 75.34 110.922 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.48 -45.76 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 73.43 111.135 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.61 -33.18 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.14 111.124 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.32 -36.42 83.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 62.21 110.9 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -72.1 -34.77 68.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.27 -36.16 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.902 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -69.45 -38.9 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 64.3 110.91 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -71.53 -36.48 71.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 71.55 110.887 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 p -65.31 -46.37 80.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.31 111.171 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -34.04 75.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.919 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -69.31 -45.13 70.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.841 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.59 -29.12 63.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.913 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -58.15 -35.22 71.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.828 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -70.11 -32.44 70.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.827 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.25 -48.98 78.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.83 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -74.05 -32.54 63.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.9 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -35.51 73.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.41 110.931 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -59.58 -49.02 79.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.15 110.836 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -56.32 -45.83 80.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 72.52 110.899 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.8 tp -58.59 -51.61 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 73.25 110.909 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.52 -32.26 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.941 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.0 mt -68.01 -29.89 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.23 111.157 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.7 t -73.24 -24.63 60.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 61.31 110.873 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.1 ptp -104.61 -1.06 26.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 75.32 110.856 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 63.09 34.71 13.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.871 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.34 114.79 29.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.922 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.7 159.42 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 64.44 111.165 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.0 tp -124.95 135.48 52.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 74.03 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -145.5 160.16 45.8 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.614 0.721 . . . . 73.14 110.896 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 170.99 15.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 75.43 112.284 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.79 151.82 23.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.877 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.63 -24.63 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.87 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -95.89 26.39 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 62.12 110.848 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -91.06 110.81 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 73.54 110.861 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -81.45 -173.94 4.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.899 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -98.69 37.5 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.867 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -132.98 69.61 78.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 72.22 110.861 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 156.83 62.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.721 2.28 . . . . 74.32 112.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 85.3 t -60.26 134.51 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.162 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -83.96 98.02 9.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.941 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.98 -31.21 72.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 74.43 110.937 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 m -95.69 52.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.813 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 65.41 111.112 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.873 0.368 . . . . 74.23 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -75.77 160.67 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 72.11 111.17 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.21 153.9 79.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 75.41 110.913 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -17.35 37.46 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 73.24 112.321 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -20.46 55.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.86 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.17 0.27 31.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 72.42 112.523 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 139.74 22.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.607 0.718 . . . . 73.34 110.863 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 124.63 11.27 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.636 2.224 . . . . 64.34 112.383 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -42.5 71.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.881 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 p -61.47 -31.05 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 63.44 110.84 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -77.72 -43.66 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.874 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mp -68.17 -48.65 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.905 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.8 mm -54.84 -45.83 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 74.53 111.124 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -68.15 -34.13 75.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 72.43 110.882 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -68.99 -47.64 65.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.925 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -58.86 -30.55 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 74.42 110.912 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 m -61.01 -21.46 63.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 74.12 111.149 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.61 -8.92 59.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.096 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -104.91 4.14 31.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.959 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.62 -148.55 14.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 63.14 112.461 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.33 24.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.252 . . . . 73.54 112.363 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -62.82 146.46 52.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.919 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.19 144.73 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 74.42 111.104 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 -77.74 93.84 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.873 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.9 160.59 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.857 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.13 175.9 36.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 72.35 112.466 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -118.98 122.16 41.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 71.05 110.852 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.4 m 55.77 27.1 10.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 74.42 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -101.06 -38.51 8.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 71.41 110.891 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -169.62 161.42 9.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 64.24 110.89 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.73 28.48 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.923 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -122.01 160.86 24.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 74.24 110.831 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -103.52 123.24 46.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -93.28 149.36 21.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 75.54 110.904 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -150.89 139.01 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.878 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -107.01 113.05 26.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 75.43 110.825 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.6 m -101.74 98.6 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 62.43 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.4 mt -111.07 107.01 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.15 -63.18 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.42 111.104 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 m -134.9 154.57 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 74.51 111.105 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -90.83 144.94 25.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.893 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.2 p -81.26 -31.08 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.185 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -177.54 149.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 75.32 110.892 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.5 p -127.81 1.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 63.24 111.147 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 3.0 mptt -51.33 -58.21 11.44 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.575 0.703 . . . . 75.44 110.901 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.1 Cg_endo -69.8 168.74 20.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 73.24 112.344 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.53 160.04 1.09 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.699 . . . . 74.03 111.121 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.94 30.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 74.01 112.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -63.53 -25.49 68.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.896 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -112.05 17.17 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.45 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 tpp85 -68.27 145.0 54.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.87 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -137.04 145.43 44.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.863 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -129.65 152.52 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.901 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -80.97 150.4 28.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.905 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.89 172.16 43.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 75.31 112.494 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -125.41 110.08 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 72.13 110.89 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -52.2 146.68 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.931 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.7 111.58 13.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 72.42 110.867 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.3 112.83 23.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.877 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -135.09 158.66 43.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.931 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -138.02 110.98 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.928 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.96 113.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.22 111.123 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -77.4 178.11 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.913 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -49.67 -49.22 48.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.847 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.21 15.93 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.882 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -134.78 169.28 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.885 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -129.36 149.82 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.02 110.916 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -125.23 161.54 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 72.05 111.107 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -152.56 145.06 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.934 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 160.73 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.03 110.904 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -114.16 120.28 39.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 75.51 110.874 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -135.72 127.42 29.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.912 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -96.71 162.18 13.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 75.03 110.855 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 163.08 -148.52 15.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 73.23 112.49 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 tp -127.53 145.67 50.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 72.33 110.889 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -118.63 111.17 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.879 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.35 -175.6 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.837 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -76.84 -29.64 55.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 71.11 110.907 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -4.51 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.907 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.77 26.06 11.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 72.41 112.452 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -69.68 130.06 41.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 74.43 110.878 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -75.36 121.32 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.905 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.0 m -146.18 129.78 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.23 111.136 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.5 m -97.91 116.63 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 64.02 111.123 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 m -140.83 156.59 68.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.626 0.727 . . . . 74.41 111.107 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 156.36 63.59 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.743 2.295 . . . . 74.45 112.325 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.62 145.04 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.104 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -57.77 -177.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 74.35 110.841 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -50.96 169.18 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 61.43 110.895 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 t -52.62 -27.54 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.5 111.148 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -53.49 -41.92 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.882 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.6 t -79.32 -48.79 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 72.34 111.129 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.22 -33.18 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.41 111.116 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.11 -36.55 83.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.872 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -64.62 -42.9 95.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.875 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.83 -35.19 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.53 110.91 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.13 -43.35 98.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -71.32 -36.26 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.922 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.1 p -67.35 -46.32 73.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 73.15 111.129 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 pp -72.37 -35.41 68.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -68.17 -43.2 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.845 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -72.8 -28.38 62.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -57.53 -41.74 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.922 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -70.39 -32.55 70.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 64.25 110.926 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.92 -48.58 80.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.895 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -73.8 -32.11 63.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.905 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -35.74 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.908 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -49.16 71.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.24 110.938 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.55 -46.64 80.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.836 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.55 -51.28 70.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.909 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -31.74 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.901 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.6 mt -67.59 -29.98 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 75.15 111.155 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -73.79 -24.94 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 75.14 110.838 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.8 ptp -104.77 -2.3 25.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 75.14 110.894 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.96 36.53 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 72.05 110.929 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.3 115.18 30.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.903 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.32 153.35 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.21 111.074 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 tt -129.91 113.69 14.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.948 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -156.22 160.17 30.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 71.12 110.911 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.56 14.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 74.25 112.364 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.3 m -82.28 127.2 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.847 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -14.47 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 74.45 110.864 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -111.39 26.06 11.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 61.33 110.897 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -137.21 142.64 42.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.898 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -179.16 114.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -131.04 -75.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.874 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -175.52 74.48 0.29 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.751 . . . . 71.01 110.9 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.6 38.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 74.53 112.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 29.0 m -54.58 135.42 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 64.15 111.137 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -96.49 97.72 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.858 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.57 -26.91 68.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.934 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.4 t -83.83 58.29 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.05 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 60.25 111.105 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 75.23 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -136.84 159.5 41.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 73.31 111.145 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 mt -74.94 154.43 86.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 75.43 110.891 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -17.21 37.41 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.655 2.237 . . . . 75.2 112.317 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.81 -16.49 58.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 72.04 110.889 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.34 -13.32 33.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 72.31 112.473 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.37 152.75 73.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 73.23 110.804 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 124.48 11.13 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 73.02 112.331 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -69.87 -50.53 41.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.918 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.79 -42.4 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.84 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.11 -45.52 93.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 74.55 110.9 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.53 -49.12 78.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.913 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -60.17 -46.13 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 72.43 111.115 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -61.68 -41.45 97.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.867 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -67.73 -49.85 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 74.04 110.871 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -58.9 -24.63 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.876 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.5 m -66.65 -21.68 66.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 61.44 111.096 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.16 -6.85 57.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 64.2 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 mt -102.64 4.11 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.883 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.65 -149.72 16.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 72.14 112.5 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.93 20.19 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 73.24 112.313 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -61.8 134.5 56.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.946 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -79.15 143.2 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 73.35 111.146 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -77.77 96.97 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -52.02 151.63 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.908 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.78 159.71 34.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.727 . . . . 73.31 112.46 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.14 -62.23 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 71.14 110.936 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 p -151.6 155.96 39.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 75.35 110.853 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 39.44 41.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.35 110.839 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -109.97 96.74 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.881 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -99.92 27.04 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.32 110.859 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.84 160.41 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.881 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -112.19 129.33 56.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.863 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -93.25 148.51 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.913 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -150.87 117.97 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 64.4 110.894 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -106.89 112.48 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.861 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.82 89.02 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.43 110.886 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.31 90.42 2.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.899 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.02 -54.17 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.113 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 m -155.73 139.47 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.03 111.104 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.7 p -68.11 128.93 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.856 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.35 -34.27 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 75.11 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -176.16 146.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.865 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -125.05 24.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.134 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.524 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -66.31 -58.23 10.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 72.52 110.865 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.6 Cg_endo -69.81 178.19 4.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 74.45 112.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.43 159.86 11.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 63.04 111.09 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -25.48 28.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.64 2.227 . . . . 73.44 112.366 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -63.67 -20.38 65.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 73.43 110.9 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -118.14 17.27 14.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.0 ptt-85 -69.22 143.91 53.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 72.15 110.874 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.91 166.89 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -140.09 151.76 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 65.52 110.906 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -80.95 159.6 24.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.908 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.2 174.19 27.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.73 . . . . 71.21 112.468 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -118.94 149.66 41.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.744 0.307 . . . . 73.24 110.918 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -89.44 133.34 34.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 72.31 110.886 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.9 ttt -115.32 112.32 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 65.11 110.894 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.93 113.41 24.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 74.33 110.869 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.26 154.18 47.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 64.2 110.952 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -137.64 110.99 7.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.863 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.91 113.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 70.11 111.129 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.557 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -80.84 -174.58 4.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.9 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.557 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 2.0 mt-10 -51.53 -54.62 25.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 63.3 110.924 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.5 41.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.52 110.906 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.2 mtt85 -157.95 179.86 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.861 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -143.57 144.51 31.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 71.53 110.853 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.7 t -141.43 140.14 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 74.34 111.1 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -129.74 172.65 11.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 73.04 110.921 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -144.78 159.82 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.89 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -116.74 121.34 41.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 75.55 110.917 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -135.76 132.52 36.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 74.11 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -97.07 157.39 15.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 74.33 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.95 -175.42 33.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 75.24 112.45 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.4 tp -107.6 143.39 36.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 75.35 110.899 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -110.07 102.27 11.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.918 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -78.59 170.1 17.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -26.3 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.872 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.22 -9.82 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.45 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.58 15.73 71.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 63.02 112.466 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -85.62 126.36 33.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 71.43 110.879 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -52.47 121.79 7.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 75.02 110.927 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -145.44 106.68 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 74.11 111.145 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.6 m -84.3 121.95 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.24 111.099 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.8 m -131.21 153.36 81.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 72.34 111.155 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 142.33 47.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 62.45 112.391 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.1 mm -93.34 115.59 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 74.42 111.087 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -96.48 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.893 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 63.19 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -54.33 -27.94 39.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 73.51 111.18 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -53.71 -35.1 60.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 75.2 110.856 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.9 t -78.67 -45.65 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.12 111.103 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -33.22 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 75.51 111.125 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.0 -36.83 85.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.878 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -69.53 -33.53 72.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.901 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.63 -34.87 72.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.959 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.02 77.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.914 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -71.6 -36.18 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 65.21 110.908 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -46.66 76.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 63.13 111.15 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.49 -34.71 72.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.899 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -66.7 -49.23 66.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.882 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.12 -28.65 62.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.916 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.63 -39.7 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 74.11 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -69.2 -32.6 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.51 110.897 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.57 -47.55 78.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.906 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -69.41 -32.86 72.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 74.13 110.875 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -35.63 81.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 74.4 110.913 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -43.4 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.853 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -64.99 -44.18 90.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.8 tp -58.27 -51.12 71.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 65.02 110.95 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.7 mt -61.74 -32.28 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.909 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 36.7 mt -70.05 -29.9 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.44 111.126 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.4 t -72.04 -26.08 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 71.52 110.847 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.9 ptp -101.99 -1.1 32.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 74.1 110.838 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 64.49 34.51 10.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 71.04 110.909 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.36 132.59 48.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 63.43 110.934 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.91 158.3 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.109 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.5 tp -129.63 137.75 50.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 75.14 110.931 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -155.72 160.41 30.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 71.33 110.917 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.33 14.68 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.687 2.258 . . . . 73.52 112.319 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.6 m -92.91 134.79 34.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.837 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -59.37 -23.22 62.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 73.24 110.889 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -9.27 59.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.11 110.839 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -105.21 150.5 25.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.862 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -99.55 -175.75 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 71.13 110.928 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -100.28 82.44 2.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.89 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -160.53 68.58 2.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 75.52 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.89 55.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 72.41 112.366 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 25.1 m -53.86 134.37 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 74.53 111.13 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -90.18 97.52 11.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.868 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.49 -32.33 64.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 75.55 110.904 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 57.0 p -103.8 64.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.893 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 64.44 111.079 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 ttm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.83 0.348 . . . . 73.24 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.4 p -75.89 160.5 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 70.41 111.174 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.56 153.79 81.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 72.12 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -17.27 37.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 73.03 112.323 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -19.21 54.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.856 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.25 -1.2 31.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 60.32 112.478 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.72 150.04 37.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 73.14 110.87 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 126.01 12.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 72.02 112.355 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -31.83 70.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.894 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -68.23 -46.86 69.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 71.35 110.83 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -61.97 -32.04 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 75.03 110.828 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.12 -45.97 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 74.01 110.897 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.7 -48.84 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 73.32 111.136 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.75 -35.77 81.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.919 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -68.03 -49.64 60.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.907 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -62.55 -24.99 67.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 70.12 110.809 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.7 m -60.94 -21.95 63.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 62.34 111.101 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.1 -7.62 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 72.53 111.106 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.0 mt -104.67 4.14 32.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.12 -151.0 19.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 51.32 112.467 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.78 20.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 73.13 112.367 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -61.89 122.9 16.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.987 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.58 140.12 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.34 111.097 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.48 118.81 19.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.851 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -73.63 -51.71 15.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.901 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.64 -179.7 40.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 52.13 112.52 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -115.72 -31.83 5.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 72.23 110.928 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.5 m -87.12 -179.33 6.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -52.84 128.86 28.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.02 78.15 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 72.51 110.829 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.07 -54.75 6.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.913 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -114.82 160.19 19.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.84 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -97.48 153.89 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -143.36 121.07 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -118.06 141.4 48.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -106.88 112.46 25.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 72.33 110.882 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.3 m -106.54 102.63 12.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.889 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.29 89.8 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 72.41 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.78 -58.72 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 75.45 111.094 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.4 t -129.58 144.38 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.124 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.1 t -88.41 122.83 32.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 62.14 110.878 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.33 -23.1 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.41 111.096 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 67.29 129.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.86 152.17 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 72.15 111.136 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 23.8 mtpt -56.37 -59.27 12.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 74.43 110.875 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.72 -169.04 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.648 2.232 . . . . 74.3 112.363 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.36 157.5 6.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.721 . . . . 74.13 111.052 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.64 18.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 60.55 112.321 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.52 -19.12 64.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.849 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -84.02 -13.28 53.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.889 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -121.4 154.96 35.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 73.23 110.875 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -94.41 167.27 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 63.52 110.848 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -121.37 165.94 14.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 75.03 110.907 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -82.06 136.38 35.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.23 126.9 1.03 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 71.54 112.501 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -88.65 125.8 35.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.8 0.334 . . . . 75.41 110.901 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -84.18 156.66 21.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.943 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -128.02 121.07 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 71.14 110.917 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.04 116.94 30.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.867 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 pp -130.33 159.91 35.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 70.34 110.929 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -130.96 111.97 12.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.877 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.93 135.72 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 65.12 111.063 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -100.44 -173.83 2.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.945 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -53.33 -57.74 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 74.12 110.921 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 26.96 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.929 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -147.34 169.96 18.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.874 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.71 163.07 24.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.865 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -140.0 164.7 29.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 75.41 111.135 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -158.51 143.54 16.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 75.44 110.925 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.81 160.47 35.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.859 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -100.7 113.57 26.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.947 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -135.48 116.8 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.42 110.918 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -92.04 151.46 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.41 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -175.37 -146.65 5.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 62.52 112.496 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -145.41 143.6 30.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 73.4 110.916 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -105.22 115.26 29.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.904 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.59 -178.99 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.901 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -81.43 -24.21 37.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.924 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.42 -10.21 44.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 60.53 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.4 13.91 68.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 73.14 112.493 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.73 148.82 25.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 71.21 110.888 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -54.84 129.42 37.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 75.21 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -145.25 108.48 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.51 111.145 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -84.97 119.91 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.148 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.44 133.51 9.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.695 0.76 . . . . 72.4 111.12 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 141.69 46.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 74.23 112.38 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.8 mm -73.53 151.19 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 72.44 111.136 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.72 -173.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.926 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.96 169.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.947 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -52.42 -27.52 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 73.44 111.155 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -53.45 -42.48 67.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.904 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.7 t -79.97 -48.64 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 75.22 111.145 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.34 -33.04 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 71.3 111.167 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.01 -35.58 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -38.98 79.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.9 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.87 -34.93 72.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 73.13 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -56.65 -36.97 70.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 62.15 110.879 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -68.15 -51.19 48.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 65.44 110.919 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.1 p -63.45 -25.49 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 62.43 111.112 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.19 -54.64 38.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.42 110.9 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -71.03 -42.09 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.855 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.99 -29.33 63.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.854 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -68.99 -40.06 79.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 73.01 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -70.33 -32.75 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.815 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -48.47 81.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 54.23 110.903 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -73.74 -31.58 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.894 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -35.67 72.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.853 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -62.14 -46.51 88.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 75.04 110.881 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.48 -46.32 80.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.84 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.51 -51.39 70.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.52 110.903 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.62 -32.06 72.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.937 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.0 mt -68.59 -30.05 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.1 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 t -73.26 -24.47 60.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 70.01 110.865 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.2 ptp -104.26 -2.02 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 73.24 110.886 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 63.81 34.86 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 70.41 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -102.92 121.44 42.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.909 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.38 159.54 32.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.139 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.1 tp -128.91 139.93 51.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.926 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -145.36 160.48 45.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 73.14 110.902 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 171.35 14.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 71.02 112.346 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.7 m -99.93 147.69 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 74.24 110.827 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -67.89 -23.01 65.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 74.54 110.911 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -95.77 26.44 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 64.55 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -91.02 121.67 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 71.52 110.882 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.49 -176.94 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.938 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.12 25.61 11.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.876 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -134.2 70.0 73.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 74.03 110.872 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 159.05 54.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.646 2.231 . . . . 73.11 112.371 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.9 m -54.19 141.46 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 73.13 111.077 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -73.96 97.32 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.944 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.7 -35.97 65.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 71.52 110.902 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.0 t -102.31 65.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 72.15 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.14 111.076 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.2 mmm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 64.21 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p -136.91 159.27 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 74.11 111.167 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.72 153.99 95.13 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 74.12 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -23.89 30.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 74.21 112.315 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 p -71.12 -16.62 62.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.884 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.47 -8.09 32.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 71.13 112.537 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.57 153.09 61.33 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.586 0.708 . . . . 75.13 110.912 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 123.78 10.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.735 2.29 . . . . 73.4 112.361 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -71.17 -54.31 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 74.23 110.849 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.4 m -54.14 -43.23 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.84 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -62.0 -47.42 84.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.86 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.92 -43.98 91.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.852 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -59.52 -48.49 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.52 111.13 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -34.17 76.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.962 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -68.31 -52.53 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.894 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -59.09 -25.95 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.864 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.1 m -60.64 -21.93 63.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.21 111.124 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 -8.09 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.51 111.056 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.88 3.86 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.883 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.46 -150.7 16.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 74.23 112.466 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.1 22.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 75.34 112.349 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.88 121.28 13.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.32 140.93 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 74.5 111.139 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -77.96 93.62 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -93.26 141.43 28.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.912 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.76 -147.32 17.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 72.21 112.487 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -53.77 -33.73 56.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 72.11 110.901 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.0 m -52.49 -48.24 66.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 75.52 110.855 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -84.95 116.96 23.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 74.05 110.86 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -98.67 -64.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -127.8 -55.46 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.901 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -98.27 138.27 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 64.44 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -61.31 145.58 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.21 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -130.94 113.85 14.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.872 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.03 133.1 56.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 64.31 110.841 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.95 112.32 25.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.896 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -106.76 130.26 54.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 61.34 110.855 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.31 131.48 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.917 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.06 -64.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.3 111.1 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -150.32 133.49 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 60.31 111.078 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.2 m -67.64 118.55 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 74.55 110.866 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.7 t -53.28 -36.9 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 75.4 111.115 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -153.99 140.35 18.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 71.45 110.932 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.4 p -116.26 -21.43 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.117 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.622 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 8.7 mtpt -66.43 -52.01 39.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 74.24 110.908 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.2 Cg_endo -69.71 163.72 37.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 74.13 112.344 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.81 160.1 1.18 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 74.21 111.098 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.62 24.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 63.22 112.313 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -80.24 -1.77 42.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.904 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -115.77 -14.06 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.887 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -91.53 159.59 15.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.4 110.823 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -130.3 166.98 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.894 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -126.48 140.17 52.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -80.96 157.9 25.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 75.22 110.92 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.29 177.54 38.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.799 -0.715 . . . . 72.22 112.477 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -130.22 115.82 17.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 74.03 110.893 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -59.01 120.81 9.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.913 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 ttt -93.07 112.07 23.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.858 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.8 113.52 25.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.887 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.57 159.49 41.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 72.11 110.927 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -133.37 111.59 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.51 110.892 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.83 116.25 9.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 74.22 111.112 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.545 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -88.4 -172.28 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.911 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.545 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 5.9 mt-10 -52.66 -52.4 55.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.909 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.69 25.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -139.58 145.93 39.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.838 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -120.37 138.19 53.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.906 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.6 t -121.93 164.27 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 74.55 111.158 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -151.8 161.22 43.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.933 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -148.09 160.87 42.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.877 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -110.61 114.83 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.915 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -135.79 130.35 33.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -91.9 164.34 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 73.32 110.887 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.07 -173.79 42.94 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 71.42 112.495 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -109.15 131.41 55.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 73.3 110.91 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -107.03 95.25 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.893 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -72.0 175.76 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 54.34 110.862 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -75.81 -29.19 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.914 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.89 -9.85 41.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.884 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.91 19.5 28.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 64.41 112.481 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -69.79 140.23 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 75.12 110.886 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 47.4 p90 -95.3 122.48 38.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.4 m -145.73 137.11 24.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.22 111.154 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.0 m -98.0 116.08 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 75.22 111.098 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.88 158.2 68.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 74.44 111.133 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.52 60.05 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 70.13 112.344 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.24 146.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.42 111.165 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -58.49 -174.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 72.15 110.878 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -50.42 167.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 t -53.57 -27.54 26.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.129 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -53.56 -42.27 67.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.886 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.6 t -79.69 -48.71 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.54 111.15 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.23 -33.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 71.11 111.128 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.21 -36.31 81.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 65.13 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -73.01 -31.91 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.22 110.86 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.94 -34.84 73.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -40.95 80.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.856 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -71.65 -36.24 70.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 73.35 110.953 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.8 p -65.65 -46.47 79.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 73.52 111.115 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.03 -34.15 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.94 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -68.57 -44.17 74.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 74.52 110.899 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.62 -29.26 63.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.892 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -58.28 -40.93 83.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.895 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -70.28 -32.57 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 74.14 110.808 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.76 -48.8 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 61.32 110.923 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -74.06 -32.15 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 72.22 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -35.72 82.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.52 110.915 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -62.72 -44.02 97.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.929 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -55.72 -46.79 77.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 74.34 110.893 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.2 tp -58.86 -50.0 75.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.918 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.73 -36.23 83.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 75.2 110.875 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.3 mt -60.94 -39.13 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 74.43 111.141 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -22.03 60.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.86 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.3 mtm -95.23 -7.85 37.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 72.33 110.869 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 63.47 41.71 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.857 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -103.47 137.63 41.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.905 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.27 138.12 57.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.41 111.084 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.6 tp -129.55 133.15 47.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 71.43 110.935 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -146.59 159.95 42.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.677 0.751 . . . . 64.32 110.861 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.27 14.76 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.658 2.239 . . . . 53.53 112.327 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.1 m -73.55 138.33 44.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.799 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.48 -22.42 54.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 71.51 110.835 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.68 25.86 4.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.816 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -93.27 107.66 19.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.873 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -93.28 -175.71 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 74.53 110.849 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.79 54.04 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 63.53 110.877 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -164.02 68.25 1.56 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.677 0.751 . . . . 71.53 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 159.13 54.55 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.687 2.258 . . . . 65.03 112.378 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.0 m -53.77 124.27 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.52 111.121 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -66.97 97.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.13 110.902 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.7 -30.84 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 70.42 110.934 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.4 m -105.39 45.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.847 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 64.24 111.114 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.859 0.361 . . . . 65.43 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.8 p -119.84 159.76 23.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 74.04 111.112 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.35 153.9 91.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 74.05 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -22.54 31.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 75.15 112.325 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -18.53 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.45 110.889 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.35 1.06 31.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.745 . . . . 60.54 112.485 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.52 153.07 40.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 63.44 110.853 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 125.04 11.67 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.277 . . . . 70.41 112.325 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -69.5 -50.56 44.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.872 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -54.71 -43.7 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 75.41 110.871 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -62.05 -45.72 92.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.864 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.61 -48.31 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.898 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.78 -43.43 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 64.52 111.141 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -67.98 -41.68 81.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.929 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.46 -47.88 74.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.896 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -58.79 -26.03 63.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.898 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.0 m -62.76 -21.38 65.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 71.15 111.128 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.18 -7.3 58.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 64.32 111.088 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.0 mt -104.37 4.23 33.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.05 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.52 -149.39 16.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 75.52 112.505 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 168.91 20.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.256 . . . . 74.14 112.336 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -61.92 122.11 14.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.959 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mp -68.06 140.77 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.145 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -86.38 120.59 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.859 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -51.22 -65.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 75.24 110.912 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.83 18.08 14.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.72 . . . . 71.44 112.526 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 39.42 41.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.75 0.31 . . . . 75.32 110.905 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -142.57 157.51 44.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.866 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -111.48 -37.53 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.899 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -112.72 89.31 3.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 73.02 110.901 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -163.3 -177.03 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -98.07 160.24 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.817 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -79.41 135.97 36.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -120.26 123.28 42.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 73.35 110.882 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -120.04 133.1 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -106.8 112.41 25.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 75.12 110.864 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 m -106.72 133.82 50.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mt -110.57 97.98 7.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.3 -71.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 71.24 111.088 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 m -125.86 144.0 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 72.53 111.147 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.7 p -84.87 128.2 34.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 72.35 110.854 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.92 -33.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 74.43 111.07 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -130.1 108.58 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 75.31 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.1 p -121.84 -7.54 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.21 111.15 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 8.2 mtmm -66.38 -58.04 11.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 72.22 110.892 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.9 Cg_endo -69.72 177.46 5.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 71.43 112.351 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.43 160.28 1.01 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 63.03 111.094 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -23.36 31.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 73.41 112.364 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.79 -24.69 67.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.35 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -109.86 16.94 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 72.12 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.74 146.07 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.906 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -137.09 139.36 41.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 63.14 110.915 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -121.74 146.1 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -81.56 128.62 34.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.923 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -153.68 168.78 32.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 70.2 112.457 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 11.7 p-90 -115.49 155.03 28.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.732 0.301 . . . . 74.42 110.944 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -104.95 116.28 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 74.44 110.874 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.5 ttt -108.21 112.74 25.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 74.53 110.908 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -112.75 118.5 35.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 73.34 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.58 155.71 46.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 72.15 110.918 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -137.73 115.92 11.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.854 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.22 141.04 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.4 111.092 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -170.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 75.54 110.872 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.06 -51.45 69.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.915 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -143.6 25.4 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.03 110.928 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -146.81 171.26 15.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.837 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.68 136.4 39.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 70.2 110.92 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -105.17 164.67 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 71.13 111.141 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -156.96 143.38 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.931 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -147.57 160.58 42.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.881 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -133.06 133.63 43.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.929 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -130.22 145.76 51.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 71.13 110.918 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -91.84 146.41 23.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.06 -144.06 7.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 63.12 112.486 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 tt -145.35 145.9 31.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 73.25 110.96 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -121.38 120.44 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.879 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -97.74 -176.44 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.866 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -77.57 -23.57 49.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.955 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -78.23 -9.7 59.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.42 21.35 77.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 53.12 112.509 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -91.64 121.46 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 74.42 110.881 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -63.0 122.66 16.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.925 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.9 m -142.36 121.4 12.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 75.05 111.143 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.01 131.4 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.142 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.1 t -145.0 132.76 10.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 73.25 111.107 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.57 48.23 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 71.25 112.345 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.9 mm -92.41 118.64 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.02 111.195 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.45 152.88 18.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 70.43 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 63.86 105.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.861 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.1 t -52.93 -28.85 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.11 111.142 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.86 -38.04 64.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.914 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.1 t -78.66 -47.05 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.114 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -32.89 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 55.1 111.161 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.87 -34.52 77.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -34.63 63.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 73.54 110.887 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.5 -41.09 73.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.936 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -69.1 -32.69 72.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.911 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -71.68 -36.4 70.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 75.45 110.873 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -46.41 80.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 75.13 111.143 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -34.2 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.892 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -49.01 57.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.912 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -65.36 -29.5 70.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 45.01 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -66.61 -34.57 78.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.908 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -46.41 67.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.4 110.875 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.88 -47.91 81.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -32.19 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 75.35 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -34.38 71.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 62.3 110.902 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -42.77 64.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.01 110.885 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.78 -35.81 81.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.83 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.84 -51.02 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.882 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 mt -64.03 -41.28 97.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.93 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 30.9 mt -61.2 -36.12 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.12 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.6 t -67.86 -22.92 65.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 75.21 110.885 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 28.4 mtm -95.74 2.73 54.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 74.02 110.895 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 63.5 43.31 5.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.13 161.35 15.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.903 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -111.56 159.53 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 63.34 111.127 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.1 mt -120.95 142.61 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.938 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -137.33 160.6 64.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 51.5 110.923 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 171.28 14.66 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.757 2.304 . . . . 74.34 112.354 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -101.92 158.27 16.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.879 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.04 -16.66 52.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.865 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -95.45 25.35 4.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.858 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -111.09 107.55 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 70.11 110.911 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -89.63 -74.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.03 110.906 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.65 -172.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 56.91 68.29 2.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 71.33 110.891 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 158.99 55.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.272 . . . . 72.04 112.354 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.3 m -54.33 128.46 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.21 111.133 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -79.61 97.39 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.74 -35.3 65.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 74.34 110.916 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.2 m -98.68 50.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.837 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 75.42 111.132 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.868 0.366 . . . . 72.51 110.919 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -96.12 161.08 14.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 70.35 111.068 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.37 153.52 82.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 73.11 110.909 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.17 37.92 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 63.23 112.383 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.84 -18.59 60.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.845 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.41 4.29 30.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 65.23 112.467 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.85 138.0 22.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 74.32 110.811 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 125.87 12.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 73.31 112.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -41.33 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 75.11 110.919 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.2 t -57.86 -30.36 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 74.1 110.846 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -77.88 -49.15 14.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.874 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.38 -46.6 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 64.53 110.974 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.3 mm -61.76 -33.1 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 65.52 111.133 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -68.8 -49.4 58.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.884 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -66.71 -42.08 86.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 71.23 110.925 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -62.33 -21.31 65.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.905 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.1 m -74.91 -21.51 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 71.35 111.127 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.72 -7.42 58.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 73.41 111.105 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.3 4.18 33.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.911 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.8 -153.27 20.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 72.14 112.492 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 168.93 20.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 72.3 112.33 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.89 134.63 56.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.963 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -80.21 143.87 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 74.14 111.143 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.1 ttt-85 -81.25 93.85 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.1 110.855 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -53.13 171.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.879 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.58 144.47 11.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 75.02 112.478 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -120.93 51.17 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.744 0.306 . . . . 73.14 110.926 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 83.7 m -125.84 -174.95 3.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.922 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -54.19 173.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.54 110.897 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.45 120.86 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.12 110.871 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -141.91 -177.27 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 70.3 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -101.74 160.4 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.03 110.836 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -68.17 156.11 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 74.04 110.879 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -128.17 145.39 51.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.845 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -147.98 134.29 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.874 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.73 113.16 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 61.32 110.851 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 t -99.05 125.31 44.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 70.23 110.893 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 mt -109.52 130.88 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.15 110.917 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.61 -49.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 45.43 111.119 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 m -154.01 153.18 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.108 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.5 t -90.6 142.82 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 71.13 110.899 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -81.18 -32.78 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.34 111.139 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -171.87 138.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.1 110.903 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.51 21.3 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 75.42 111.112 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -66.76 -58.43 9.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 74.55 110.899 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.69 -175.96 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 75.34 112.358 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.32 160.05 53.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 64.51 111.057 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -35.01 13.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 74.51 112.364 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.05 -25.5 65.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.32 110.873 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -110.49 17.09 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 74.55 110.87 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -78.79 148.55 32.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -110.69 146.85 35.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.853 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -133.07 148.63 52.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 64.12 110.902 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -80.65 146.33 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.883 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.02 -139.69 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 74.02 112.442 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.3 p-90 -175.69 126.43 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 73.41 110.904 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 18.1 p90 -84.99 143.94 28.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -125.55 112.96 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 73.4 110.904 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -113.35 116.52 29.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.849 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.68 159.45 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.912 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -135.63 111.62 9.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.857 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.48 117.5 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 72.24 111.129 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.94 -169.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.937 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -51.71 -54.13 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.904 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 26.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.42 110.934 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -145.0 161.21 39.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.881 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -120.8 156.81 31.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 72.15 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -141.07 158.77 43.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 65.04 111.126 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -158.48 169.16 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.878 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 151.91 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 75.04 110.897 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -113.02 116.43 29.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.943 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -132.08 146.53 52.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 64.33 110.919 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -94.85 148.25 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.76 -146.27 5.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 74.21 112.448 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.8 tp -144.8 145.86 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 71.11 110.93 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -99.98 98.84 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 74.15 110.907 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -78.74 175.89 10.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.863 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -25.38 44.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.905 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -87.12 -9.65 54.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.65 18.67 74.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 64.32 112.506 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -95.84 135.0 38.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 75.42 110.892 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -52.56 126.05 18.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.946 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -137.3 106.39 6.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 65.12 111.147 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.4 m -64.4 114.98 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 74.22 111.12 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.26 133.17 9.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 74.31 111.172 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 150.83 69.22 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 74.32 112.388 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.3 mm -96.7 122.22 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.14 111.14 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -96.36 155.42 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.52 110.839 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 62.93 105.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.5 110.91 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -52.58 -28.76 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 61.45 111.159 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.92 -34.93 61.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.899 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.1 t -79.89 -33.64 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 71.21 111.083 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.71 -34.58 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.52 111.115 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.14 -29.14 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -74.6 -43.07 57.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.897 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.94 -34.88 76.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.962 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.7 -41.45 77.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.89 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -71.85 -37.22 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.935 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.8 p -66.31 -46.6 76.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 75.42 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.97 -35.44 69.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.931 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -67.76 -42.35 81.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.4 110.85 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -72.75 -32.49 65.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.874 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.02 -35.39 76.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.908 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.26 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 72.43 110.872 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.7 -47.76 79.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 61.24 110.847 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -32.63 69.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 71.23 110.904 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -35.6 80.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 61.42 110.884 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -39.29 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.902 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -57.87 -46.87 84.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.892 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.7 -51.23 70.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.903 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.8 -31.56 69.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.54 110.89 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.7 mt -70.89 -29.8 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 72.31 111.105 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 t -73.61 -26.4 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 62.34 110.885 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.5 ptp -98.69 -1.34 40.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 73.44 110.923 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 64.0 35.13 10.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.08 113.89 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 65.54 110.923 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.44 148.81 31.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 62.22 111.124 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 tt -129.72 141.69 50.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 75.33 110.907 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -147.48 160.3 39.33 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.668 0.747 . . . . 72.12 110.885 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.37 14.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.239 . . . . 73.22 112.359 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 m -75.34 147.61 39.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 62.13 110.871 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -69.25 -18.82 63.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 72.21 110.847 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.67 26.57 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.851 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.94 138.74 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.874 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -98.03 -179.19 4.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 71.14 110.894 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -94.58 65.7 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 62.04 110.864 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -150.74 67.94 8.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 75.31 110.916 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 158.78 55.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 74.43 112.345 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.0 t -62.13 117.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.34 111.122 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -69.45 97.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 75.23 110.932 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.8 mp -73.76 -28.2 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 72.02 110.928 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 t -85.68 61.97 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.852 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.25 111.12 179.875 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.859 0.362 . . . . 73.02 110.845 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.6 p -100.91 159.44 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 65.13 111.128 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.93 153.55 88.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.608 0.718 . . . . 70.44 110.934 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.27 31.0 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.717 2.278 . . . . 73.33 112.312 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -17.64 62.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.865 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.39 -4.8 31.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 55.1 112.504 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 150.57 44.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.571 0.7 . . . . 75.24 110.873 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.19 10.83 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.639 2.226 . . . . 75.44 112.338 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -70.63 -46.52 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.863 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -53.91 -46.97 71.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 65.22 110.849 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -62.28 -48.57 79.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 64.2 110.851 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.12 -49.02 79.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.31 110.94 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.7 mm -57.37 -45.53 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.52 111.123 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -37.54 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.896 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -67.08 -51.45 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.952 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -58.54 -26.65 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.894 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.0 m -63.14 -21.35 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.3 111.145 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -7.9 58.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 71.13 111.121 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 mt -105.01 4.27 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.942 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.97 -151.71 19.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 53.23 112.516 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.98 20.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 74.05 112.378 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -61.76 127.02 29.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 73.2 110.923 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 mp -74.89 141.91 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 73.3 111.094 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -87.57 115.91 25.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.52 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.35 -58.23 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.899 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.32 -133.0 11.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 70.3 112.456 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -139.16 -176.38 4.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 74.34 110.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 m -66.51 -170.96 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.86 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 59.6 95.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.891 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 56.06 83.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 61.53 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -66.38 98.73 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.54 110.885 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -98.61 152.11 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.864 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -96.75 139.59 32.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.899 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -116.87 141.15 48.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -134.29 136.37 43.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.87 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -106.77 112.74 25.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 73.23 110.859 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.8 t -94.26 120.39 34.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.925 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.1 mt -109.77 123.26 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 73.13 110.93 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.01 -47.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 72.12 111.09 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.9 157.0 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 73.13 111.118 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.93 133.54 33.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 61.52 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 t -66.53 -48.65 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.33 111.121 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -167.45 131.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 65.14 110.904 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -96.08 26.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 64.51 111.13 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.7 mtpm? -66.86 -58.38 9.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.556 0.693 . . . . 73.33 110.908 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.0 Cg_endo -69.76 179.32 3.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 75.44 112.358 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.35 160.01 1.42 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 70.35 111.101 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -31.09 21.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 73.12 112.322 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -71.16 -25.62 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.91 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -98.86 17.07 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 74.24 110.915 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -56.65 142.4 39.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 64.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -118.27 132.72 56.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.868 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.46 160.09 21.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.31 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -93.52 149.89 20.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.935 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.43 -145.93 7.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.729 . . . . 63.14 112.52 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -166.41 119.76 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.321 . . . . 74.34 110.916 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -74.8 151.03 39.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.907 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.7 ttp -145.72 117.21 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.848 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -110.38 114.04 27.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.42 159.41 23.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.912 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -136.69 117.93 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.875 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.61 148.27 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.34 111.1 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.26 -176.88 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.933 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -52.04 -51.69 55.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.905 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.9 30.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 75.02 110.925 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -155.24 176.95 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.888 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.96 150.7 51.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -141.04 157.17 45.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 73.11 111.149 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -153.71 167.13 30.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 74.31 110.969 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -132.24 160.53 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.86 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -106.08 106.47 17.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -134.51 125.87 28.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 74.35 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -91.85 165.01 13.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 70.45 110.928 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.6 -143.61 6.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 73.13 112.5 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 tt -145.44 145.56 31.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 74.35 110.917 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -105.9 105.62 15.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.889 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.54 178.26 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -30.03 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.22 110.883 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -105.36 -9.74 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 75.43 110.92 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.88 18.66 79.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 70.44 112.485 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.38 141.0 47.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 72.41 110.913 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -52.2 122.53 8.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.877 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.3 m -145.14 106.34 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.04 111.172 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.0 m -66.7 114.28 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 74.43 111.105 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.38 133.73 9.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 72.45 111.144 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 149.38 66.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 72.54 112.335 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.3 mm -84.01 148.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.114 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -173.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.3 110.891 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -50.2 167.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.33 110.892 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -52.88 -27.77 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.167 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -53.67 -42.11 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.865 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.4 t -79.53 -48.75 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 75.35 111.101 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.28 -33.22 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.22 111.152 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -63.02 -35.99 82.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -68.45 -40.11 81.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.72 -34.91 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.94 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -59.38 -37.98 79.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.885 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -70.97 -33.81 70.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.935 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 30.1 p -74.4 -30.78 62.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 63.44 111.169 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -73.17 -37.79 66.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.913 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.423 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 15.8 ptm180 -72.39 -38.0 68.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.52 110.845 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.55 -38.17 68.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.896 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.96 -35.83 77.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.841 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -40.97 73.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.862 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.38 -47.06 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 64.53 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -33.08 70.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 70.1 110.873 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -34.83 70.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.932 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -38.84 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 74.3 110.872 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.1 -36.32 82.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.861 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.7 tp -66.6 -51.12 59.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.878 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.92 -35.17 79.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.886 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.64 -30.38 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.4 111.16 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.5 t -73.69 -23.87 59.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.859 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 32.6 mtm -99.35 1.75 44.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 71.11 110.887 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 63.56 33.44 13.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 72.21 110.882 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.35 136.04 44.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.932 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.7 153.57 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.12 111.122 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.9 tt -129.82 141.66 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 72.35 110.898 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -134.17 160.31 69.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.663 0.744 . . . . 75.15 110.877 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.72 15.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 74.25 112.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.82 -179.26 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.01 110.842 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -75.07 -33.63 61.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 71.13 110.861 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.25 26.49 4.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 64.04 110.845 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -92.94 152.43 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 70.23 110.895 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 63.23 41.34 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 64.41 110.877 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -126.95 -39.2 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.861 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -170.62 68.35 0.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 75.23 110.919 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.14 68.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.242 . . . . 74.35 112.366 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.06 170.37 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 72.03 111.128 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -75.2 98.37 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.892 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.19 -25.75 64.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.945 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.6 t -96.2 28.23 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.886 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.33 111.143 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.875 0.369 . . . . 75.42 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.8 p -77.68 159.74 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 63.33 111.119 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.91 153.72 93.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 73.13 110.908 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -18.59 37.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 2.287 . . . . 63.31 112.35 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -76.36 -14.31 60.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.893 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.55 -21.11 26.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 75.32 112.549 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.54 147.97 87.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 71.12 110.877 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 123.61 10.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 73.52 112.382 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -71.57 -55.5 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.865 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -54.35 -43.54 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 74.43 110.853 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -61.27 -36.82 81.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.859 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.42 -41.0 81.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 62.21 110.861 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mm -55.95 -48.97 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.096 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -34.34 77.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.913 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -65.95 -50.2 65.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.9 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -64.64 -22.9 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 64.35 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.4 m -65.56 -22.34 66.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 75.23 111.131 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.95 -8.69 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 74.34 111.114 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 mt -105.16 4.03 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.943 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.94 -154.16 22.18 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 64.22 112.469 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.7 20.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 73.54 112.364 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -62.11 130.15 44.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.921 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -77.7 141.76 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 75.14 111.152 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.0 97.54 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 53.01 110.845 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -54.12 -73.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 72.42 110.905 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.01 178.63 27.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.509 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -112.08 -25.92 9.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.777 0.322 . . . . 74.51 110.88 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.3 p -54.45 161.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.926 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.11 47.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 63.45 110.927 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -95.2 151.45 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 74.35 110.868 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -104.1 49.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.842 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -129.76 160.17 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.914 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -120.1 115.16 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.828 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -95.84 144.39 26.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 71.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -139.48 116.48 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.898 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -106.91 111.54 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 74.52 110.899 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -107.39 160.46 15.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.915 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.7 mt -110.89 98.26 7.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.918 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.49 -70.93 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 65.33 111.087 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -144.74 151.43 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 73.12 111.093 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 t -84.68 116.09 23.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.872 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.3 p -81.82 -25.17 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 72.41 111.108 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -87.93 118.68 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.92 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -150.89 -41.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 71.21 111.129 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 35.0 mttt -66.61 -57.46 12.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 73.22 110.915 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.2 Cg_endo -69.78 178.26 4.76 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.711 2.274 . . . . 71.44 112.291 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.36 159.8 4.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.542 0.687 . . . . 73.51 111.117 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -22.16 32.24 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.645 2.23 . . . . 71.34 112.298 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.68 -17.53 55.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.883 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -99.73 18.16 18.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.72 121.74 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.876 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -136.96 126.78 25.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.857 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -112.99 149.11 33.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.918 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -80.71 141.91 34.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.925 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.24 -173.24 14.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 45.13 112.503 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -88.44 -174.97 4.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.696 0.284 . . . . 73.45 110.968 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -170.38 50.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 74.02 110.893 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.5 ttp -92.36 115.38 28.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.886 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.14 113.62 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.53 110.896 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.73 159.38 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 75.24 110.858 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -132.94 111.02 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.919 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.24 117.11 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 71.11 111.114 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.33 -169.4 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 75.14 110.863 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.29 -63.24 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 72.15 110.863 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.91 40.71 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 71.22 110.92 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.56 174.52 12.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.876 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -144.5 126.85 15.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.52 110.92 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -108.69 164.1 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.183 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -151.95 156.21 39.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 75.04 110.893 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -141.81 141.68 33.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 75.03 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -84.84 103.92 14.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 75.11 110.913 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -136.0 146.71 47.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 72.25 110.929 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -109.05 155.59 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 70.21 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.11 -166.06 16.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 73.42 112.52 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.9 tt -138.12 145.93 42.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 73.14 110.908 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -99.89 109.83 22.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.32 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.27 -179.17 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.855 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.33 -26.09 68.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 70.43 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.08 -9.73 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 73.1 110.866 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.68 20.19 75.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 73.41 112.473 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -81.56 148.24 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 75.41 110.88 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -63.06 123.23 18.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.43 110.932 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -140.88 107.64 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 71.24 111.19 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.0 m -60.64 114.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.161 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.12 133.32 9.21 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.651 0.739 . . . . 73.23 111.096 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 146.46 59.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.652 2.234 . . . . 72.34 112.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 41.9 mm -81.83 116.82 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.12 111.162 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -89.19 151.56 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.891 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 63.16 105.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 t -54.9 -28.18 48.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.164 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.92 -36.31 62.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.79 -46.73 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -33.0 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 72.14 111.116 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.85 -36.85 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 64.55 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -69.47 -46.72 66.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.48 -34.7 77.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.888 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.05 -44.22 97.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.886 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -71.93 -39.87 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 75.04 110.946 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 71.4 p -60.94 -46.52 90.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 71.04 111.117 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -34.1 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 73.21 110.892 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -49.13 55.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.862 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.93 -29.47 70.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 62.52 110.883 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -64.47 -35.21 80.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.862 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -38.03 76.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.01 110.865 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.41 -48.03 77.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.869 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -32.69 67.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 74.33 110.872 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -35.61 75.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 70.25 110.921 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -59.27 -48.89 79.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.874 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -55.8 -44.43 77.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 64.21 110.874 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.63 -50.6 73.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.921 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.22 -33.53 75.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.909 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.8 mt -60.77 -35.74 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.12 111.131 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.7 t -73.64 -23.88 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.886 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 13.1 mtm -93.05 -2.45 55.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 75.54 110.868 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 64.25 48.55 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.71 161.39 16.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 72.05 110.965 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -97.91 159.4 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 75.34 111.093 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.53 135.76 55.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.929 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -155.81 160.12 31.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 71.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.4 14.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 74.3 112.369 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.52 139.25 53.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 75.12 110.847 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.59 -21.31 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 70.44 110.849 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -110.47 26.45 10.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -122.92 125.01 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.3 110.843 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -96.14 -68.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 73.51 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.97 103.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.851 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -174.25 68.41 0.31 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 65.31 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.38 45.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.268 . . . . 71.2 112.351 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.6 m -64.25 137.94 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.41 111.166 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -78.23 97.42 5.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.45 -30.63 63.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.922 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 m -104.41 65.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.23 110.89 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.131 179.869 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.819 0.342 . . . . 74.14 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.0 p -91.25 159.82 15.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 74.3 111.129 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.14 153.86 94.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.708 . . . . 71.54 110.892 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -17.43 37.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 75.12 112.328 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -19.87 60.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 64.1 110.832 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.57 -1.26 30.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 65.4 112.482 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.21 149.48 36.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 74.5 110.849 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.98 10.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.664 2.242 . . . . 75.24 112.396 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -71.01 -56.83 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.3 110.94 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -54.2 -45.46 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 61.43 110.843 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -61.57 -34.56 75.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 72.22 110.853 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -73.23 -44.59 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.03 110.935 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mm -55.29 -44.57 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 73.33 111.144 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.927 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -67.52 -51.06 55.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 74.52 110.89 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -59.08 -24.54 63.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.896 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.3 m -63.91 -22.47 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 71.13 111.123 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.91 -7.85 59.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 60.21 111.101 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.4 mt -104.52 4.02 32.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.39 -152.95 21.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.502 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.25 19.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 75.51 112.336 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -61.54 133.48 55.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.918 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -79.6 143.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 75.34 111.104 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -83.81 93.83 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.877 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -52.0 125.25 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.872 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.44 149.35 10.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 60.44 112.49 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -100.49 -43.35 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 75.32 110.919 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 88.3 m -105.71 -62.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.866 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -86.84 108.66 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.892 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -94.63 38.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.88 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -132.35 26.01 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.9 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -139.94 160.72 39.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.874 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -131.28 112.75 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.842 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -93.52 149.06 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -149.04 138.34 21.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 71.42 110.872 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.88 112.33 25.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 73.03 110.876 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.0 m -106.69 115.16 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 64.23 110.856 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -111.03 90.05 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.96 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.67 -46.24 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 71.41 111.101 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.9 t -135.64 131.24 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 63.42 111.143 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -90.61 129.67 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 60.44 110.898 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -81.23 -4.59 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.4 111.114 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 71.79 164.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.943 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.0 m -93.63 38.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.2 111.1 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -67.25 -58.45 8.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 71.31 110.909 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.3 Cg_endo -69.77 -167.38 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.284 . . . . 74.24 112.306 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.14 160.3 0.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 72.34 111.083 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.42 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.704 2.269 . . . . 73.32 112.333 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.19 -9.1 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 65.43 110.852 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -96.53 17.17 16.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.42 110.873 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -82.6 117.61 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.847 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.93 167.62 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.34 110.91 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -127.98 146.47 50.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -80.96 129.65 34.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 72.52 110.92 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.66 -138.68 2.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.757 . . . . 72.45 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.0 p-90 -170.6 109.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.689 0.28 . . . . 74.2 110.96 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -60.01 137.49 58.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 74.51 110.93 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -113.78 111.73 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 75.34 110.847 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -114.14 112.49 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 75.43 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -135.19 159.73 40.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -125.83 110.67 13.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.13 110.883 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.65 114.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 74.15 111.075 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -77.31 169.41 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 75.12 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -49.61 -47.14 49.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.886 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.82 41.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 70.42 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -164.35 -179.45 6.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.85 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.06 166.4 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.41 110.886 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 72.1 p -137.13 154.08 50.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.02 111.169 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -152.59 161.07 43.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.923 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.98 160.48 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 74.15 110.867 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -122.31 114.33 20.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.96 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.86 140.84 44.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 73.2 110.901 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -92.08 144.22 25.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 64.4 110.874 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.76 -154.07 13.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 64.43 112.478 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 tt -135.31 145.53 47.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 64.24 110.954 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -106.1 103.56 13.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 75.1 110.905 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -89.31 -177.45 5.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.87 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -81.08 -25.71 36.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 64.54 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -78.41 -9.65 59.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 65.11 110.89 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.95 18.84 74.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 62.4 112.514 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -97.45 155.52 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 74.31 110.895 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 46.0 p90 -84.63 128.02 34.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.894 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.3 m -144.93 113.15 6.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 74.5 111.171 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.5 m -69.83 117.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 72.53 111.119 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.1 156.9 75.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.609 0.718 . . . . 71.32 111.149 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.69 43.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 71.11 112.357 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.8 mm -92.66 147.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.23 111.163 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -57.99 -174.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.851 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -47.29 161.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -50.85 -31.28 16.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.12 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -33.99 52.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.902 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.77 -45.24 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 73.24 111.119 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -33.18 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 63.1 111.136 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -62.2 -37.43 85.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 64.2 110.876 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -68.51 -35.43 77.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.901 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.55 -35.64 73.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.938 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -69.43 -40.06 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.89 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.8 -36.45 70.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 74.3 110.931 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.6 p -64.97 -46.46 81.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 75.21 111.142 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -33.98 76.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.1 110.921 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.53 -44.08 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.913 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.21 -29.49 64.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.898 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -64.99 -36.24 83.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.44 110.933 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -69.96 -32.8 71.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 75.2 110.853 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.13 -48.11 46.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 63.35 110.848 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -62.55 -32.28 73.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.887 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -37.06 76.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 72.33 110.928 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -54.67 -46.07 73.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -56.22 -46.42 79.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.85 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.2 tp -58.64 -51.34 70.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 73.01 110.857 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 mp -61.84 -30.98 71.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.943 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.1 mt -68.02 -30.08 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 74.42 111.123 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.3 t -74.27 -23.38 59.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 64.5 110.845 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.71 1.89 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 71.45 110.871 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 58.53 43.05 19.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.892 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.42 125.49 49.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.906 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.04 134.64 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.1 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.3 pp -116.92 140.62 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.942 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -147.24 159.88 41.08 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 73.34 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.01 15.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 72.21 112.366 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.37 130.27 40.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.904 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -58.86 -22.04 58.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 71.41 110.869 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -95.77 26.2 4.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -130.34 128.51 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.876 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -81.28 -179.6 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 71.15 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -92.59 132.74 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -153.99 73.07 6.43 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 74.44 110.874 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.82 68.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 74.5 112.311 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.5 m -113.43 146.88 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.117 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 97.49 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.885 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.6 -36.24 65.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.929 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 t -97.27 61.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 73.14 110.879 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.12 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ptp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 73.34 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.8 p -76.88 159.54 29.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 61.04 111.167 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.65 153.74 92.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 63.4 110.959 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -17.38 37.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 63.34 112.323 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.57 -18.85 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.24 110.86 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.57 1.15 30.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 73.22 112.497 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.6 151.77 39.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 75.44 110.837 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 124.9 11.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.677 2.251 . . . . 74.42 112.333 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -69.73 -47.28 63.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.91 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.6 p -57.57 -43.3 84.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -39.84 93.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 73.44 110.868 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.24 -49.08 73.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.904 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mm -61.52 -44.01 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.32 111.14 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -67.84 -39.74 83.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 73.33 110.89 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -65.5 -50.14 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.875 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -59.01 -30.54 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.885 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.9 m -58.79 -21.57 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.34 111.17 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.71 -7.0 58.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.11 111.063 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.5 mt -104.0 -5.27 22.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 70.44 110.925 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.46 -151.11 11.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 72.33 112.468 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.02 19.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 73.12 112.318 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -61.87 132.28 52.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 71.21 110.941 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -78.08 143.28 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.139 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -81.86 94.84 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.901 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.26 162.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.864 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.21 -174.11 22.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 53.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -119.69 44.99 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 75.4 110.973 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.6 m 58.28 41.36 23.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -111.91 -37.55 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.882 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -135.35 156.31 49.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.846 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -102.04 26.15 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.89 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -110.3 160.88 16.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.31 110.86 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -108.52 137.79 45.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.863 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -97.88 148.95 22.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 61.54 110.876 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -149.59 146.78 27.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.911 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.54 112.73 24.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.901 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.51 101.07 10.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 65.34 110.906 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.5 mt -111.02 120.06 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.922 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.04 -50.56 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 63.11 111.123 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -147.06 143.33 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.24 111.143 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -75.74 135.14 40.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.07 -51.3 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 72.15 111.063 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -173.36 162.25 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.914 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.2 p -127.77 0.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 73.51 111.116 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.517 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.2 mtpp -51.16 -58.11 11.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.539 0.685 . . . . 74.53 110.892 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.2 Cg_endo -69.85 177.92 5.15 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.666 2.244 . . . . 74.42 112.311 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.67 159.94 1.17 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 63.32 111.127 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -23.8 30.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 73.03 112.284 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.03 -25.76 40.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.889 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -96.81 17.12 17.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 73.4 110.888 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -75.01 153.25 38.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -137.08 156.8 47.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.87 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.28 166.85 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 73.51 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -103.73 159.84 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.97 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.43 -174.39 40.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 64.54 112.47 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -135.25 125.42 26.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.754 0.312 . . . . 74.41 110.902 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -68.95 135.94 51.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.925 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -115.92 112.66 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 75.22 110.869 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -113.66 123.73 50.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 71.01 110.871 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.78 146.64 50.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.902 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -125.45 111.46 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.917 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.8 112.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 63.31 111.06 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.16 174.43 10.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.944 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -48.97 -48.49 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.861 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.71 21.02 1.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 73.33 110.899 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -142.35 -179.56 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 74.44 110.904 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.75 144.62 43.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.949 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -141.27 139.94 33.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 73.45 111.139 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -127.19 171.75 11.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.951 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -144.04 160.61 40.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.34 110.874 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -128.5 123.92 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 72.0 110.948 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -135.64 138.06 42.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.945 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -91.74 151.5 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.923 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.9 -158.87 31.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 74.55 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.66 129.78 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 71.54 110.911 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -105.95 95.27 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 64.12 110.918 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 172.88 9.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.825 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -81.4 -20.59 40.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.902 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.12 -9.69 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 71.1 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.69 18.54 79.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 72.41 112.501 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -77.18 157.2 31.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 75.42 110.892 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -100.26 121.61 41.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.0 m -145.77 116.13 7.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.03 111.179 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.2 m -91.64 120.82 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 71.45 111.139 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.9 m -143.17 133.1 11.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.669 0.747 . . . . 72.45 111.073 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 137.37 35.4 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.676 2.251 . . . . 75.12 112.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 mt -97.63 112.41 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.53 111.109 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -99.07 89.99 4.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.24 102.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 54.32 110.86 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 t -52.55 -28.16 19.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.1 111.149 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.73 -42.44 86.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -79.45 -32.04 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 74.24 111.134 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -33.46 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 72.22 111.116 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.3 -33.79 71.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 71.32 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -71.36 -43.63 66.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.834 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.86 -41.59 95.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.953 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -40.46 79.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.14 110.864 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -71.6 -36.35 70.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 75.15 110.918 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.2 p -66.12 -46.91 75.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.157 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.42 -34.35 77.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.881 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -44.41 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.888 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.94 -28.94 62.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.84 -35.3 70.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.14 110.853 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -70.28 -32.35 70.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.42 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.48 -48.33 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.91 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.74 -31.9 70.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 74.53 110.913 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -35.48 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.3 110.851 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -54.39 -50.63 67.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 74.45 110.87 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -56.09 -46.62 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 51.33 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.1 tp -59.63 -51.06 71.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.91 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.38 -32.07 72.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 74.22 110.924 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.3 mt -68.49 -29.85 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.13 111.122 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.9 t -73.45 -24.65 60.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.841 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.4 ptp -103.58 -0.8 29.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.879 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 63.82 34.96 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 72.21 110.875 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -102.31 128.3 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 73.42 110.905 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.39 159.63 19.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 73.0 111.09 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 17.7 mt -99.71 143.06 30.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -152.57 160.26 31.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 75.23 110.887 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 170.76 15.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 74.51 112.336 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m -112.26 -175.29 2.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.67 -23.55 39.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.66 26.38 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 75.42 110.867 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -91.11 108.58 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.902 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -99.65 -171.39 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 75.54 110.868 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -97.18 -176.18 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 72.43 110.868 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 54.07 68.28 2.89 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.57 0.7 . . . . 74.4 110.888 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.79 55.72 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 73.31 112.334 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.27 127.19 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 70.24 111.181 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -66.99 97.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.902 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.8 mt -73.55 -29.6 62.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.963 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -99.37 44.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 72.04 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 73.3 111.1 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 75.22 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.7 p -80.93 159.7 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 74.44 111.122 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.98 153.91 95.6 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.592 0.71 . . . . 64.24 110.915 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -18.04 37.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 53.21 112.353 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -19.74 60.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 60.4 110.841 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.53 -1.44 30.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 63.32 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.06 150.37 38.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 73.02 110.855 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 124.11 10.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 73.04 112.361 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -71.11 -57.19 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.873 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 m -54.07 -45.17 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.863 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -61.64 -35.53 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.02 110.864 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -73.72 -40.87 63.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 63.32 110.904 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.4 mm -55.03 -47.76 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 73.13 111.147 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.74 -33.69 75.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.15 110.867 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -65.32 -53.45 43.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.915 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -59.05 -27.03 65.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.875 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.1 m -59.54 -21.64 60.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.52 111.159 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.29 -7.55 59.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.34 111.104 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.7 mt -104.4 4.2 33.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.936 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.56 -151.5 19.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 71.34 112.455 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.42 19.01 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.724 2.283 . . . . 73.44 112.316 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.12 134.24 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.919 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mp -82.75 145.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 73.21 111.168 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -83.86 93.5 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.43 110.872 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -91.1 -176.83 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.901 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.17 174.27 46.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 74.01 112.485 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -113.85 36.89 3.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.327 . . . . 72.33 110.917 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.6 m -95.52 -176.5 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 63.4 110.896 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -52.57 168.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.894 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -52.58 126.75 20.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.883 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -146.36 176.95 9.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -105.62 151.45 24.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.865 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -59.31 153.34 19.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -133.94 145.68 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.881 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -139.12 116.41 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.834 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -107.78 109.01 20.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 73.11 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -110.13 154.45 23.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 64.41 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 mt -111.63 89.49 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.925 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.53 -72.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.09 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 t -145.73 150.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 63.12 111.154 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.6 p -82.07 143.0 31.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 71.42 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.09 -45.44 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 73.32 111.137 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -178.58 174.63 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.838 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 m -120.1 16.0 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 64.23 111.109 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -66.96 -58.45 9.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 73.44 110.913 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.3 Cg_endo -69.81 -173.59 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 75.23 112.305 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.57 160.09 80.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 74.34 111.12 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -23.99 30.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 75.45 112.347 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.59 -25.42 49.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.91 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -104.71 -14.05 15.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.865 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 137.18 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.851 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -113.42 156.54 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.853 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -134.21 150.08 51.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 75.01 110.871 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -80.42 135.03 36.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.961 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.99 178.23 17.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 61.52 112.466 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -62.22 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 73.14 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 64.37 82.66 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 64.51 110.944 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 tmm? -122.99 117.34 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 72.44 110.859 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -110.28 119.57 39.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 73.24 110.899 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -134.31 159.07 42.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.943 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -130.94 111.4 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.51 134.21 40.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 72.02 111.1 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -98.96 -177.79 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 75.13 110.955 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.09 -51.0 57.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 64.1 110.87 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 26.87 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 74.04 110.856 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -144.24 172.11 13.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 74.15 110.899 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.33 151.65 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 64.24 110.901 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.5 t -124.78 156.47 37.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 65.23 111.155 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -150.32 149.3 29.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.891 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -140.97 160.06 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 74.34 110.876 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.1 104.71 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.919 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -135.19 146.78 49.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 73.03 110.909 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -115.08 138.43 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.878 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.24 172.98 20.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.688 -0.768 . . . . 73.53 112.462 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tt -145.59 145.96 31.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 73.44 110.929 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -96.85 119.58 35.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.35 110.91 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -97.98 -175.98 3.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -58.05 -22.85 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 71.4 110.927 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -106.48 -10.61 16.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 64.11 110.867 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.09 9.01 59.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 73.42 112.526 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 155.38 32.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 74.11 110.889 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -52.7 121.79 7.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.945 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -141.18 106.38 5.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.106 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.7 m -68.42 115.99 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.139 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.05 133.38 9.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 74.23 111.121 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 142.61 48.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 65.43 112.32 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.0 mm -70.78 114.99 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 75.42 111.143 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -84.57 156.09 21.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 73.33 110.914 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 63.42 105.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.914 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -53.8 -29.33 40.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.24 111.138 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -56.59 -39.09 72.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.888 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.93 -43.87 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 73.04 111.166 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -33.31 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 75.24 111.112 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -62.46 -31.5 72.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.899 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -74.51 -36.59 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.5 110.869 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.8 -42.68 69.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.916 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.43 -40.16 89.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.887 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -70.82 -38.49 73.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.982 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.2 p -66.13 -25.33 66.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 71.21 111.094 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -74.13 -34.87 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.928 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.424 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -72.8 -49.69 28.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.879 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -58.67 -29.34 66.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -71.99 -38.87 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.874 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -56.9 -32.72 66.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 72.34 110.848 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.58 -47.74 45.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.857 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -67.3 -32.54 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.886 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -37.83 88.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.905 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -54.81 -45.67 74.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.99 -46.79 78.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.884 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.0 tp -59.42 -50.85 72.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.92 -30.93 71.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.921 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 18.5 mt -68.18 -30.41 47.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 72.52 111.127 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -22.43 59.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 73.41 110.874 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.93 -0.19 19.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.865 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 59.41 44.87 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.06 132.77 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.91 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.85 159.94 30.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.15 111.128 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -100.65 143.16 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 62.32 110.897 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -127.73 153.61 77.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.644 0.735 . . . . 72.31 110.886 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.15 14.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.727 2.284 . . . . 74.32 112.331 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 t -88.64 136.56 32.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.916 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -56.61 -24.91 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 72.33 110.89 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -103.32 25.87 9.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 65.14 110.897 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -91.5 118.62 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.897 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -121.97 41.87 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.859 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 55.42 42.23 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.866 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -150.13 72.75 9.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.67 0.748 . . . . 74.51 110.903 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.28 62.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.234 . . . . 75.11 112.349 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 31.1 m -61.05 133.63 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.129 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 111.15 22.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.02 110.927 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.61 -35.05 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 72.14 110.936 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.3 m -76.97 64.62 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 71.51 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 61.22 111.108 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.89 0.376 . . . . 74.34 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -81.01 159.81 24.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 75.14 111.122 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.39 153.86 95.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.721 . . . . 73.24 110.945 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -18.62 37.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 74.12 112.337 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -19.16 59.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 61.34 110.862 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.47 -0.48 30.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 70.45 112.531 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 153.64 40.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.572 0.701 . . . . 71.23 110.88 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 124.76 11.4 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 73.15 112.312 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -69.78 -51.51 33.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.902 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -54.81 -44.81 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.847 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -62.13 -41.88 98.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 75.21 110.862 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.83 -41.98 96.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.895 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.83 -48.27 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 74.12 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -65.03 -37.2 86.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.922 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -66.82 -52.11 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.882 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -58.96 -28.83 66.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.863 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.8 m -58.89 -21.73 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.142 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.76 -7.16 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 60.1 111.073 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.4 mt -102.65 4.13 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.54 110.926 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.99 -148.05 14.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 54.33 112.49 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.14 19.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 73.22 112.324 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -61.63 125.07 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.957 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.29 141.0 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.42 111.091 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 93.73 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.884 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -95.62 177.19 5.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.892 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.71 97.9 0.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 74.25 112.472 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -152.16 141.16 21.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 71.52 110.893 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.8 t -52.25 -31.7 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.866 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -139.37 51.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 65.54 110.879 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.2 95.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 62.03 110.843 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -112.89 -27.8 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 64.21 110.83 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -125.22 160.98 27.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -113.03 110.74 20.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 75.11 110.932 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -102.86 132.18 49.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.904 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -118.68 124.96 48.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.886 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.28 112.05 24.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.843 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -107.23 146.23 31.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.909 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 mt -92.06 116.56 29.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 70.22 110.872 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.03 -68.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 62.33 111.13 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -144.16 146.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.8 m -68.77 156.65 37.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 63.01 110.871 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.11 -23.77 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.111 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.7 t30 64.85 96.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.896 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 t -141.37 168.72 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 71.24 111.148 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 12.3 mtmt -48.12 -57.85 9.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 75.34 110.927 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.5 Cg_endo -69.8 152.37 69.06 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 64.23 112.306 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.47 159.87 1.1 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 73.02 111.14 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -23.69 30.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 74.42 112.321 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -63.16 -23.2 67.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.877 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -106.42 1.15 25.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -121.57 159.95 25.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 71.23 110.855 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.38 166.98 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.842 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -120.45 167.39 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.9 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -80.91 142.39 33.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.949 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.94 119.62 0.64 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.501 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -76.65 147.1 37.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 75.51 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -118.48 116.9 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 tmm? -103.67 112.72 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 72.32 110.879 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.92 119.89 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.876 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.83 159.19 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 72.53 110.921 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -131.15 112.46 12.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.878 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.69 116.83 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.087 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -77.38 -178.58 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 73.03 110.912 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -50.17 -54.89 17.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.4 12.76 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.32 110.892 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -137.49 -179.49 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.899 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -130.98 147.45 52.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 75.2 110.85 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t -122.16 146.58 47.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.11 111.124 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -135.33 161.08 36.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 65.43 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -152.68 160.71 43.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 73.02 110.873 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -111.16 110.93 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 63.3 110.936 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -135.89 124.9 24.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.913 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -92.0 165.88 12.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.884 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 174.32 -147.73 9.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 63.2 112.512 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 tt -133.12 146.07 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 74.5 110.934 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -103.99 110.15 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 64.54 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -95.18 -176.84 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 71.44 110.889 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -23.16 47.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 74.52 110.915 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.9 -9.94 59.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.15 110.929 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.34 21.59 75.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 73.33 112.449 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -94.92 159.35 15.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 74.32 110.855 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -88.3 131.76 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.66 131.83 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 71.05 111.128 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.9 m -69.79 119.77 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.106 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 t -143.82 133.06 11.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 73.23 111.112 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 141.1 44.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 74.43 112.346 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 25.5 mm -88.62 153.61 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 75.35 111.114 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -172.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.03 168.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.901 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 t -51.0 -27.83 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.15 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.59 -42.92 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.45 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -80.76 -48.37 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.118 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -33.49 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.125 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.26 -36.29 77.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -73.23 -31.45 64.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 75.41 110.882 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.1 mt -70.79 -34.7 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.95 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -65.13 -34.28 78.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.917 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -71.73 -41.39 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 74.4 110.922 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -46.64 89.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 75.12 111.129 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -34.12 77.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 74.05 110.919 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -43.6 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.11 110.9 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.47 -29.38 64.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 73.01 110.883 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -71.4 -39.63 71.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 74.2 110.854 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -70.76 -32.57 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.886 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.48 -48.52 74.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -69.54 -31.82 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 72.4 110.901 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -35.53 73.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.922 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -46.76 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 74.01 110.839 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.07 -45.93 79.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 64.04 110.884 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.85 -49.97 75.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 71.42 110.901 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.2 mt -64.24 -37.38 87.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.911 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 25.9 mt -60.73 -38.73 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.42 111.127 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -21.08 60.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 63.11 110.842 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.9 mtm -94.54 -7.75 40.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.893 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 58.34 42.9 20.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.837 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.2 173.76 6.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.45 141.46 29.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.02 111.073 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 32.8 tp -129.52 112.58 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 75.2 110.876 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -127.16 157.29 72.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 72.14 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 171.37 14.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 65.24 112.305 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.2 t -76.74 136.9 39.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.87 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -58.74 -22.18 57.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.879 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -97.13 25.99 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -116.21 107.71 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -101.53 -73.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 72.45 110.873 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -162.28 110.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -174.8 71.34 0.3 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.72 . . . . 74.4 110.9 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 152.54 69.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 72.44 112.407 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.7 m -104.09 131.31 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 65.14 111.123 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -79.93 97.49 6.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 72.15 110.859 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.64 -30.94 63.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.892 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.8 m -102.14 49.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 62.04 110.864 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 74.43 111.152 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.85 0.357 . . . . 74.02 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.4 p -128.6 160.69 31.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 73.53 111.15 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mt -64.39 153.76 85.53 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.597 0.713 . . . . 73.11 110.949 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -17.16 37.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 72.52 112.38 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -77.51 -19.18 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 63.2 110.854 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.69 3.37 30.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.793 -0.718 . . . . 72.3 112.504 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.66 144.37 27.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 71.25 110.853 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 124.55 11.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 73.05 112.365 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -70.86 -54.46 11.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.895 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 m -54.33 -45.13 72.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 61.44 110.915 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -61.73 -35.07 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 75.32 110.885 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mp -70.39 -43.89 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.931 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mm -55.59 -42.99 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.01 111.138 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -67.7 -43.63 79.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.935 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -62.51 -47.18 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.4 110.936 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.05 -29.94 67.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 65.33 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 m -65.06 -21.4 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 64.21 111.147 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.78 -7.59 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.4 111.125 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.67 4.33 32.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.52 110.854 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . 162.99 -145.7 10.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 64.25 112.453 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 53.5 Cg_endo -69.77 167.4 24.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 73.12 112.355 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -62.69 145.92 53.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 64.34 110.933 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mp -94.84 143.4 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 74.44 111.131 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -71.9 93.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 74.3 110.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -100.32 111.57 23.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.912 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.23 -178.66 15.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.722 . . . . 62.32 112.458 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -66.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 74.31 110.886 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.3 p -124.88 -41.01 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.55 110.867 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.88 124.07 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.904 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -166.26 135.76 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 75.2 110.881 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -113.57 -70.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 73.15 110.849 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -112.0 161.05 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.859 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -79.74 132.85 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.882 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -93.19 149.29 21.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.54 110.858 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -150.39 116.48 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.845 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -107.2 112.39 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 70.21 110.848 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.9 t -106.77 144.04 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.868 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.2 mt -110.98 132.12 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.897 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.65 -55.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 74.52 111.094 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -149.21 146.31 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 11.5 t -89.49 108.49 19.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 62.22 110.918 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -81.69 -22.26 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 62.51 111.086 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -113.88 94.56 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 71.4 110.917 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.62 -32.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.153 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 3.7 mtpm? -50.35 -57.95 11.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 74.42 110.933 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.9 Cg_endo -69.77 -170.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 73.4 112.358 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.01 159.53 82.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.564 0.697 . . . . 72.04 111.094 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -23.34 30.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 74.15 112.349 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.39 -21.22 65.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.57 17.42 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 61.14 110.902 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -57.81 153.4 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 74.4 110.827 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -137.03 144.41 43.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.942 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.06 152.78 42.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.858 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -87.62 128.33 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 74.41 110.933 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.34 163.62 32.55 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 51.42 112.527 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -114.07 117.25 30.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 75.14 110.866 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -57.94 154.7 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.938 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.5 ttt -139.05 112.45 8.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.852 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -113.48 113.24 24.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 pp -134.64 159.46 41.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 75.31 110.9 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -137.85 112.25 8.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.939 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.09 115.01 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.23 111.116 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.6 -178.28 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 73.53 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.67 -64.72 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.842 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.73 41.46 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.854 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -169.46 -179.5 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.92 164.25 29.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 61.1 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.8 t -141.41 164.32 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 75.22 111.111 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -150.85 143.77 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.925 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -119.47 158.4 26.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.871 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -121.49 107.98 13.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.909 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -135.83 131.4 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 73.03 110.881 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -91.91 152.21 20.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.904 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.08 -136.82 2.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.771 -0.728 . . . . 74.25 112.491 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 tt -145.21 143.45 30.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 75.55 110.932 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -100.19 117.11 33.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.872 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.47 -175.86 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -80.58 -29.49 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 71.22 110.914 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.97 -8.26 17.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.901 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.69 19.72 26.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 74.52 112.515 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -70.42 124.7 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 72.2 110.902 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -76.64 121.21 22.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 71.53 110.894 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.0 m -145.87 109.28 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 72.54 111.165 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.5 m -66.11 114.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 73.55 111.084 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.4 m -129.97 152.52 80.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.656 0.741 . . . . 75.35 111.133 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.13 53.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.701 2.267 . . . . 72.43 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -97.18 114.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 72.3 111.091 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -96.73 149.21 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.867 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 64.02 107.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 t -56.49 -28.09 58.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 71.55 111.17 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -53.37 -34.99 59.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.869 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.0 t -81.04 -33.46 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.42 111.139 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -34.47 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.43 111.088 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -27.28 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 65.1 110.864 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -69.48 -38.3 77.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.57 -35.3 73.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.35 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.51 -43.59 79.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.865 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -72.12 -41.89 66.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.907 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 61.9 p -61.29 -47.1 87.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 73.22 111.122 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.7 -34.78 72.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.939 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.2 -45.92 72.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 73.1 110.849 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.92 -29.04 62.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.936 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -57.81 -35.84 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.867 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -70.07 -32.48 70.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.849 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.36 -48.23 82.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 62.04 110.887 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -73.16 -32.13 64.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.41 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -35.64 76.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.953 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -61.84 -42.4 98.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.42 110.833 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -55.87 -46.57 78.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.871 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.98 -50.4 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.75 -32.71 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.952 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.9 mt -66.72 -36.35 77.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 72.34 111.124 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -73.24 -25.12 60.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 61.31 110.842 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.9 mtm -93.77 -8.41 40.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 72.4 110.876 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 64.6 42.51 4.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.871 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.48 135.55 46.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.897 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.94 156.23 25.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 71.4 111.103 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.4 tp -129.15 140.39 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.886 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.24 157.88 31.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 74.1 110.886 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 171.15 14.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 74.14 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 p -73.64 153.71 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 70.22 110.854 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.4 -22.21 64.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 64.41 110.834 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -95.82 26.18 4.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 65.3 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -106.19 107.56 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.923 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -110.8 -74.38 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.915 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -154.78 -179.15 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 75.23 110.896 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.16 68.36 1.87 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 62.1 110.916 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.87 55.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 74.51 112.348 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.7 p -55.73 123.16 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 71.24 111.108 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -67.54 97.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 72.32 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.9 mt -73.7 -26.54 60.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.934 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -92.45 52.08 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.851 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 65.13 111.068 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mmm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.808 0.337 . . . . 75.23 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.8 p -76.87 159.91 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.33 111.159 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.77 154.23 94.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 75.34 110.915 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -18.77 36.96 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.669 2.246 . . . . 65.44 112.343 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -74.72 -19.36 60.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.86 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.33 0.85 31.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 74.1 112.484 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.87 149.6 37.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.721 . . . . 72.42 110.867 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 125.13 11.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 71.11 112.341 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -49.55 57.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.912 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -55.23 -32.8 62.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 70.2 110.837 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.43 -46.45 22.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.886 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.41 -47.05 85.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 73.43 110.882 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mm -59.03 -44.84 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 65.34 111.11 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -41.25 83.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.921 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -64.52 -49.8 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.859 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -58.97 -29.63 67.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 73.14 110.859 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -61.76 -21.73 64.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.25 111.171 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.02 -8.15 59.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 53.41 111.169 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -105.05 3.7 30.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.909 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.1 -151.14 17.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 73.53 112.462 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.5 21.37 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.273 . . . . 72.53 112.325 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -62.39 124.05 19.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.896 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mp -74.99 134.76 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 73.31 111.15 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -80.39 93.6 6.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 73.45 110.856 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 165.97 24.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.869 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.89 -163.24 31.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 73.32 112.474 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -128.69 80.64 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 74.1 110.901 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.1 m 56.02 28.51 12.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.872 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -118.6 137.06 53.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.34 110.894 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -67.22 121.51 15.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.843 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -173.49 176.89 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.885 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -98.1 154.67 17.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 75.22 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -61.43 156.42 19.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.913 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -113.9 126.6 55.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.35 110.856 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -128.29 120.79 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 74.42 110.843 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -106.96 111.87 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.04 110.828 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -107.15 127.37 53.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.856 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.6 mt -110.96 105.49 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 72.3 110.97 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.18 -55.45 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.24 111.123 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.05 149.8 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.077 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.75 134.41 34.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.6 p -81.39 -27.35 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 71.34 111.185 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -174.78 119.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.879 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.1 t -125.89 -1.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.22 111.081 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.638 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 18.9 mttt -65.99 -51.74 44.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 74.31 110.905 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.5 Cg_endo -69.81 179.13 3.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 61.11 112.346 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.46 159.97 1.08 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.69 . . . . 74.13 111.141 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -24.0 30.31 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.688 2.258 . . . . 75.12 112.39 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -63.68 -25.6 68.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 72.42 110.908 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -111.68 17.05 20.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.909 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -88.35 128.7 35.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.03 110.832 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -137.06 163.66 30.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 73.5 110.878 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -131.0 166.25 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 65.12 110.905 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -90.62 159.63 16.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.941 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.8 151.1 6.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 72.13 112.463 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 -103.38 120.13 40.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.744 0.307 . . . . 74.14 110.978 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 22.3 m0 -54.44 134.55 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 75.31 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.61 112.1 18.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.03 110.909 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.02 124.25 51.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 73.22 110.902 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.56 148.42 50.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.916 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -137.93 114.97 10.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 75.02 110.865 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.37 113.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.078 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.402 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 1.8 mm100 -77.62 -174.4 3.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.912 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 1.9 tt0 -51.32 -57.85 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -138.6 26.88 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.886 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -152.02 -179.57 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.886 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -127.18 151.52 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.879 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -141.69 138.47 32.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 62.22 111.114 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -126.18 171.22 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.01 110.885 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -142.38 144.36 33.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 74.21 110.896 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -113.9 110.7 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.939 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -129.22 143.83 51.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -91.73 138.62 31.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.05 110.852 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.74 -142.08 3.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 65.24 112.483 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 tp -145.52 145.83 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 73.24 110.897 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -121.81 110.65 16.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.42 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.56 169.98 9.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 60.25 110.912 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -81.5 -29.27 33.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.877 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -84.2 -9.79 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.41 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.09 18.16 72.73 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.711 . . . . 54.43 112.487 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -86.53 121.39 29.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 73.42 110.907 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -66.23 122.56 17.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.921 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -136.97 106.34 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 74.2 111.154 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.9 m -67.45 119.14 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.5 111.125 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.28 133.87 9.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 64.35 111.151 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.4 42.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.27 . . . . 75.22 112.342 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.2 mm -64.85 148.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.5 111.176 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.05 -173.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.914 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -49.86 168.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.877 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.0 t -50.7 -29.35 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 61.5 111.182 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.15 -41.46 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.887 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.3 t -81.46 -31.86 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 74.33 111.113 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -34.75 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.191 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.26 -27.65 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.24 110.934 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -69.96 -45.25 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 74.25 110.866 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.77 -35.2 72.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.954 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -56.95 -33.89 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -68.99 -47.94 64.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.894 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.4 p -63.18 -35.57 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 73.42 111.136 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.89 -44.2 86.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.95 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -69.06 -45.33 70.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 71.31 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -62.64 -29.44 70.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 75.42 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -41.61 91.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -70.38 -32.64 70.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.19 -48.23 44.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 65.32 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -62.44 -32.13 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 72.25 110.888 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.48 75.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 75.54 110.907 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -46.96 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.91 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -55.72 -46.88 77.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 55.41 110.915 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.54 -51.87 66.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.886 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.46 -32.48 70.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.906 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.0 mt -63.28 -30.15 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 74.44 111.155 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.6 t -69.54 -30.19 67.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 72.5 110.877 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.22 -5.84 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.897 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 63.7 48.64 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.869 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.95 173.93 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.89 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -104.19 144.71 31.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 62.15 111.091 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 17.2 tp -129.74 117.33 20.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.897 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -147.45 159.97 40.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.674 0.75 . . . . 71.15 110.867 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.4 14.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 71.14 112.369 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.7 p -73.36 133.13 43.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.11 110.866 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -62.76 -17.02 60.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 62.52 110.894 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -91.98 13.89 17.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.922 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -94.81 130.87 41.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.91 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -99.14 -175.03 2.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -70.78 -173.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.04 110.869 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 63.09 70.54 0.73 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.651 0.739 . . . . 74.42 110.915 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.99 55.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 64.25 112.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.18 128.91 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.121 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -79.1 97.84 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.886 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.64 -26.03 60.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 75.45 110.935 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.0 m -103.92 52.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.879 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 71.4 111.091 179.904 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.83 0.348 . . . . 74.33 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.5 p -136.9 154.28 50.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 64.3 111.114 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.74 155.02 85.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.585 0.707 . . . . 74.15 110.902 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.44 37.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.242 . . . . 73.55 112.336 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -75.57 -20.99 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.884 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.29 3.2 31.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 52.42 112.516 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 149.16 36.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 71.34 110.864 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 124.78 11.41 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 75.31 112.34 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -70.06 -52.2 25.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.884 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 p -54.18 -44.2 71.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 70.23 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -61.72 -45.7 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.865 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.01 -41.95 84.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 64.4 110.916 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mm -59.89 -45.63 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.23 111.13 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -68.03 -39.0 83.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.877 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -64.96 -51.0 64.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.878 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -59.1 -30.2 67.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 74.43 110.903 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.1 m -59.77 -21.94 61.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.148 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.94 -7.41 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.12 111.127 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.3 mt -104.61 4.46 32.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.923 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.99 -152.16 17.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 63.31 112.493 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 169.16 19.6 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.71 2.273 . . . . 75.52 112.346 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -61.78 125.59 24.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 75.41 110.931 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mp -77.97 143.14 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.112 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -85.41 127.69 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 73.45 110.831 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.37 -61.29 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.873 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.75 174.11 32.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 72.44 112.478 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -110.56 -28.04 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 73.33 110.918 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 m -70.54 151.43 45.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 62.03 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -119.27 159.98 23.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.889 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 52.26 61.99 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 73.03 110.86 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -141.37 -178.15 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.864 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -98.05 141.78 30.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.899 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -57.32 148.48 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 54.33 110.876 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -144.13 128.48 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.22 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.72 156.15 32.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.74 111.61 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 75.15 110.874 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.8 m -107.56 82.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -84.5 134.74 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.895 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.58 -50.3 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.03 111.108 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -142.12 148.52 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.32 111.083 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -89.32 154.11 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 71.32 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.1 m -80.53 -30.69 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 74.11 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -178.6 154.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -128.55 1.89 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 75.4 111.138 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.517 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.6 mtmp? -51.52 -58.28 11.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 75.54 110.906 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.4 Cg_endo -69.78 -172.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.229 . . . . 70.45 112.331 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.65 160.05 1.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 64.54 111.101 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -48.5 0.71 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.706 2.27 . . . . 73.21 112.339 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -80.24 -1.44 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.911 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -107.95 17.1 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 65.34 110.896 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -110.73 158.38 18.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.848 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -113.42 166.95 11.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.858 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.29 148.56 36.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 74.22 110.88 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.87 159.9 24.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.926 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.74 160.41 9.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.43 112.5 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 10.9 p-90 -125.33 133.52 52.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 75.54 110.898 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -83.37 173.19 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 74.33 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.22 111.4 12.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.884 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.28 129.46 56.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.892 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.45 159.69 41.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 63.42 110.94 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -128.65 111.18 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.893 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.14 112.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 74.45 111.064 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -78.05 -176.65 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.898 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.52 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.86 41.72 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.921 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -168.43 -179.76 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.861 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.67 152.69 49.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.929 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.4 t -134.73 142.18 46.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 73.11 111.149 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -133.57 172.23 13.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.926 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -152.97 160.61 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 74.22 110.842 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -119.15 110.83 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.41 110.92 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -136.12 132.67 36.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.45 110.934 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -91.76 164.86 13.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 63.43 110.888 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.74 -162.82 34.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 71.25 112.506 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 tt -145.33 145.7 31.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 73.25 110.891 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -94.67 121.24 36.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.12 110.856 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.71 169.98 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.4 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -81.0 -25.35 37.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.908 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -78.41 -9.76 59.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.928 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.08 18.5 79.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 73.22 112.476 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -103.23 139.27 38.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 75.33 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -51.96 121.81 7.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.41 110.912 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 m -145.61 106.29 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.164 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -93.82 120.7 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 73.43 111.108 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -128.56 157.82 73.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.608 0.718 . . . . 74.05 111.135 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.31 56.66 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.738 2.292 . . . . 74.43 112.342 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.0 mm -87.32 116.23 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 72.23 111.155 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -89.24 149.85 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.835 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.1 113.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -52.09 -31.85 32.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 73.41 111.119 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.48 -36.03 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.881 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.4 t -79.96 -32.91 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 74.41 111.169 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -34.63 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 72.2 111.109 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.41 -29.06 64.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 71.15 110.864 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -73.53 -39.88 64.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.12 -41.8 76.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.3 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.52 -36.92 83.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.891 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -60.54 -50.4 73.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.947 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -39.49 63.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 64.13 111.157 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -51.33 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 75.02 110.939 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -60.52 -39.34 87.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 73.22 110.859 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.95 -28.8 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.891 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -48.27 80.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.863 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -40.69 70.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.862 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -72.04 -47.22 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.92 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -32.58 72.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.879 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -35.8 72.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.921 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -45.55 72.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.876 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.03 -46.04 78.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 64.25 110.87 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.0 tp -58.84 -50.63 73.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.924 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.54 -37.68 88.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.88 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 25.2 mt -60.72 -38.78 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.099 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -73.82 -20.51 60.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 72.12 110.874 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.4 mtm -96.84 -8.11 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 73.21 110.855 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.93 38.77 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 73.33 110.908 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -103.28 135.99 43.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 74.44 110.909 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.87 136.11 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 64.33 111.093 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.0 tp -129.62 143.06 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.957 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -155.44 160.05 31.18 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.739 . . . . 63.31 110.867 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 171.34 14.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 74.42 112.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 m -57.05 179.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 60.2 110.879 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -67.44 -31.98 72.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.11 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -111.81 26.3 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -130.64 152.67 49.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.12 110.848 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -114.36 179.4 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 74.23 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -71.3 88.78 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.843 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -164.64 160.73 15.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 74.55 110.906 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 143.8 52.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.675 2.25 . . . . 75.54 112.375 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.34 114.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 72.41 111.136 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -96.79 96.53 8.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.909 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.31 -36.09 63.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 72.53 110.888 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.1 t -95.35 65.06 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.845 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 70.33 111.082 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 72.43 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -76.25 156.75 33.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 75.12 111.144 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.34 161.09 28.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 74.23 110.907 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -14.54 36.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.242 . . . . 71.5 112.364 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -61.58 -24.0 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.877 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.09 -25.81 17.28 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 55.02 112.462 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -86.13 152.32 55.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 73.21 110.875 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.42 19.3 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 64.11 112.344 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -63.4 -24.32 67.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 75.23 110.896 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.3 p -68.83 -39.17 80.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.857 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -78.36 -42.89 29.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 72.33 110.825 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.15 -49.38 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.939 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.3 mm -62.29 -43.25 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 61.54 111.112 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -65.34 -38.14 89.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.894 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -71.57 -48.4 48.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.893 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -59.1 -23.1 61.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 74.01 110.846 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.1 m -66.24 -21.84 66.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.11 111.151 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -7.27 58.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.01 111.075 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.2 mt -102.17 4.25 39.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.94 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.13 -150.38 16.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.683 -0.77 . . . . 73.32 112.464 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.8 20.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 75.24 112.345 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -62.12 122.08 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 75.34 110.962 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 mp -73.89 141.59 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.12 111.135 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -83.44 93.34 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.32 110.89 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.78 124.72 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 72.35 110.936 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.75 -152.99 7.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 71.24 112.492 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -87.66 142.93 27.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 74.15 110.931 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -174.11 138.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.5 -39.87 94.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.957 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.37 146.13 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 72.54 110.84 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -105.59 79.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 74.15 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -139.93 154.46 47.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 62.14 110.908 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -105.75 111.08 23.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.856 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -112.13 128.1 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 64.11 110.897 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -120.55 146.58 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 74.51 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -107.03 112.71 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -106.4 143.83 33.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.917 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 mt -111.02 118.43 36.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.2 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.03 -68.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 71.01 111.066 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.7 t -140.66 136.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 75.23 111.118 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.5 m -75.55 147.99 39.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 75.02 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.31 -51.88 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 62.42 111.123 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -130.32 164.59 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -119.91 -32.09 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 74.21 111.151 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.52 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 6.9 mttt -52.5 -58.36 12.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 74.5 110.895 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.75 -171.38 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.725 2.283 . . . . 65.2 112.322 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.77 159.93 65.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.69 . . . . 63.35 111.088 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 72.12 112.339 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -70.67 -21.19 62.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.876 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -84.11 -14.0 51.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 71.53 110.9 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -121.28 159.68 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -92.47 164.8 13.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 63.24 110.846 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -125.07 154.58 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 74.3 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -88.85 144.89 25.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.911 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.33 132.27 1.4 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.752 -0.737 . . . . 71.54 112.513 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -89.41 129.49 35.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 75.13 110.942 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -82.98 146.62 28.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 75.02 110.946 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -113.37 112.83 24.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 64.54 110.857 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.36 113.53 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.895 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 pp -117.34 155.29 29.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.923 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -122.36 111.38 16.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.932 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.61 113.7 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.4 111.137 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.49 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 1.4 mm100 -78.27 -173.77 3.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 72.52 110.947 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.49 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 2.7 mt-10 -54.11 -64.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 72.54 110.912 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.17 37.83 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 75.15 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -163.21 172.41 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.892 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -127.85 144.6 51.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.879 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -141.53 136.21 30.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 75.23 111.171 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -124.63 172.56 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.909 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 mtt85 -145.42 153.16 40.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 72.45 110.889 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -91.57 117.68 29.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 70.12 110.916 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -135.81 117.62 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 71.43 110.891 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -93.37 158.59 15.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 72.15 110.868 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 176.27 -143.3 6.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.496 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.9 tt -145.18 145.49 31.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.342 . . . . 75.31 110.922 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -101.33 95.4 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.846 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.22 171.54 12.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.908 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -81.34 -24.99 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 74.01 110.902 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.19 -9.77 59.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.55 19.33 77.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 71.34 112.451 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -98.01 158.81 15.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 64.32 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -68.56 121.8 17.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 73.14 110.919 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.7 m -145.74 111.27 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 63.34 111.117 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.7 m -97.71 120.38 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.133 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -136.67 157.87 74.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.73 . . . . 74.5 111.098 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 149.72 66.85 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.248 . . . . 73.03 112.369 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.4 mm -93.05 115.36 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 71.05 111.146 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -87.11 152.09 22.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 75.21 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.09 104.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.909 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.2 t -54.45 -27.94 40.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 71.42 111.148 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -54.17 -35.98 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 71.42 110.908 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -78.67 -46.08 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.118 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -33.2 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.142 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.92 -34.35 77.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -66.61 -35.97 81.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 72.14 110.825 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.75 -40.94 75.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.932 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.45 -38.38 84.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 64.34 110.901 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -69.63 -50.78 40.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 64.33 110.889 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.0 p -64.01 -27.64 69.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.119 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 tt -58.52 -48.27 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 74.13 110.892 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -47.51 65.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -57.74 -29.38 64.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.935 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -64.68 -43.53 93.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.907 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -70.2 -32.83 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 72.22 110.869 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -49.03 76.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.895 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -74.15 -32.5 63.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -35.49 79.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.856 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -66.58 -44.44 82.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.883 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -56.16 -46.78 79.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 75.51 110.821 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.2 tp -59.31 -51.7 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.928 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.7 mp -59.42 -32.57 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.868 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.08 -30.3 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.49 -30.56 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.888 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.26 -4.65 41.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.912 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 63.29 48.91 3.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.865 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -103.14 133.1 48.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.857 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.04 140.65 58.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 71.43 111.136 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.2 tp -121.84 141.56 51.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.937 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -145.64 160.23 45.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 74.25 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.35 14.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.262 . . . . 73.44 112.342 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.0 t -81.66 129.72 34.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.85 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -61.77 -18.01 58.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 73.44 110.819 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -76.81 -9.34 58.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.874 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -106.95 136.0 47.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -123.94 74.36 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.881 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.0 t0 53.55 40.73 31.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.867 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -144.53 68.53 14.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 73.24 110.917 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.18 68.85 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 2.258 . . . . 74.24 112.321 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.5 m -53.93 147.83 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.53 111.158 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -75.67 97.49 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 65.45 110.964 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.14 -27.6 61.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 75.24 110.919 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 94.2 p -105.25 58.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.867 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.4 111.088 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.882 0.373 . . . . 74.15 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -88.33 159.92 17.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 75.05 111.151 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.07 153.82 91.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 74.35 110.885 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -17.23 37.81 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 72.02 112.323 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -18.94 58.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.861 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.33 1.17 31.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 73.43 112.538 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.65 150.25 37.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 74.2 110.892 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 125.32 11.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.264 . . . . 74.44 112.336 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -69.21 -50.13 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.7 t -54.49 -36.69 64.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 61.24 110.838 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -46.14 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.853 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.96 -48.86 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.906 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mm -55.7 -48.04 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.152 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -65.35 -47.33 76.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.919 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -57.59 -49.71 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 71.42 110.946 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -58.9 -33.36 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 73.54 110.875 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.6 m -63.3 -21.15 66.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 70.12 111.109 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.52 57.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 72.52 111.092 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.0 mt -105.36 4.06 30.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 73.11 110.861 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.13 -145.99 10.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 62.51 112.498 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 165.09 32.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 2.263 . . . . 73.32 112.35 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -63.45 141.37 58.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 75.5 110.931 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.7 mp -94.05 136.35 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 75.25 111.132 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.23 93.78 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.907 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.74 159.3 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.43 110.905 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.95 142.7 9.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 60.43 112.516 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -116.42 55.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 73.04 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 p -119.0 -38.15 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.905 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -158.05 172.44 18.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 71.33 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -74.9 123.11 24.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.813 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -153.97 177.3 11.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.867 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -98.79 160.49 14.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.882 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -68.74 133.45 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 70.41 110.917 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.02 122.21 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 71.15 110.869 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -112.76 134.85 54.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.31 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -106.77 112.64 25.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 60.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.3 m -106.18 105.76 15.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.912 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.3 mt -110.7 89.7 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.938 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.04 -57.44 2.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 62.41 111.14 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 m -138.09 159.42 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 71.41 111.111 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.0 p -83.05 149.68 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.885 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.06 -36.81 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.109 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -178.16 154.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 74.2 110.879 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.48 -11.58 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.33 111.142 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.52 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 12.7 mtpt -51.56 -58.27 11.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 75.21 110.86 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.76 160.09 50.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 73.42 112.378 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.67 160.07 1.14 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 75.43 111.08 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -30.65 21.8 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.663 2.242 . . . . 65.31 112.373 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -63.65 -25.6 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.878 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -111.05 16.99 20.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 64.43 110.891 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -72.11 152.04 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 75.14 110.859 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -135.76 154.0 51.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.12 110.878 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -129.21 148.21 51.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.24 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -80.98 155.44 26.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.91 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.02 -178.97 39.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 60.22 112.527 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -133.33 119.97 20.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 75.32 110.915 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -86.16 130.15 34.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 73.14 110.895 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -122.06 116.73 24.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 70.43 110.894 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -113.41 116.85 30.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.905 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.55 159.45 33.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 75.34 110.89 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -128.15 117.0 20.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.4 138.81 20.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 61.21 111.139 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.02 -177.9 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 73.45 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -49.89 -59.77 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.878 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.46 8.48 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.903 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -122.11 178.07 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.835 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.5 131.59 18.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.846 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -108.46 164.19 12.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 74.14 111.151 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -157.5 143.52 17.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.957 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -149.29 127.5 12.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 75.31 110.902 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -111.49 139.58 46.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.933 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -135.69 145.01 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -91.9 156.6 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.887 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.68 -134.75 4.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 55.42 112.507 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.9 tp -144.8 143.55 30.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.54 110.876 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -103.68 96.45 6.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.53 110.854 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.89 170.47 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 70.33 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -20.53 42.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.17 -9.67 59.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.857 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.49 19.12 76.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 72.53 112.502 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -100.66 137.54 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 73.35 110.887 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 15.5 m0 -51.96 121.66 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 64.55 110.964 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.1 m -140.64 108.24 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 75.11 111.152 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.45 120.13 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 74.24 111.146 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.76 158.02 71.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 73.24 111.174 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.22 50.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.708 2.272 . . . . 74.13 112.363 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -97.1 115.34 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 73.42 111.11 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -94.97 155.68 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.98 101.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.921 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -52.86 -27.95 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.107 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.05 -35.17 61.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 73.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.2 t -78.97 -45.91 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.23 111.168 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -33.08 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 74.42 111.109 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -69.91 -32.78 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 65.23 110.914 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -74.56 -35.09 63.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.898 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.81 -45.21 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.931 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.22 -38.66 92.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.9 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -65.93 -47.29 75.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 75.35 110.946 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 p -59.7 -24.88 64.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 71.34 111.178 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 tt -74.79 -40.72 60.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.949 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -71.06 -49.78 41.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.32 110.841 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -33.61 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.52 110.906 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -72.79 -34.21 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 74.03 110.882 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -41.4 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 75.34 110.869 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.57 -47.84 84.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 74.44 110.908 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -65.97 -31.93 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 73.54 110.954 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -35.93 82.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.93 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -60.01 -41.91 93.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.88 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -56.19 -46.42 79.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 64.55 110.873 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.71 -50.06 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.92 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.84 -36.83 85.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.92 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 25.0 mt -61.74 -37.01 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.1 111.127 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -73.57 -23.24 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.861 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.2 mtm -96.06 -5.06 41.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.888 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 64.04 42.68 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.921 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -109.73 138.14 46.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.933 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -83.76 139.46 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 72.12 111.115 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 tp -129.76 121.1 26.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 63.52 110.891 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -147.56 159.8 40.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.721 . . . . 74.41 110.904 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 171.33 14.59 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.715 2.276 . . . . 74.41 112.361 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.3 m -110.58 125.19 53.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.883 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.25 -22.73 53.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.87 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -95.9 26.41 4.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.866 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -94.59 108.31 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.878 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -122.71 112.49 18.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.908 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -173.78 175.73 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 60.1 110.831 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -113.88 73.81 2.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 75.25 110.89 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.11 54.64 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 74.05 112.345 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 5.3 m -53.84 155.65 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.118 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -95.42 98.59 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.14 -31.05 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.908 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.0 t -89.67 64.73 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 64.12 110.903 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 72.44 111.105 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.863 0.363 . . . . 65.13 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.6 p -134.23 153.83 51.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 72.32 111.097 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.0 mp -74.09 161.0 80.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.565 0.697 . . . . 65.33 110.918 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -26.26 27.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.229 . . . . 75.35 112.347 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.61 -19.64 55.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 72.53 110.871 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.36 8.07 27.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 64.24 112.482 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.8 153.07 45.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.613 0.72 . . . . 75.51 110.834 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 124.29 10.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 74.33 112.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -70.66 -57.17 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.929 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.7 m -54.16 -45.94 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.88 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -62.03 -34.91 77.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 75.14 110.904 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mp -73.22 -49.29 28.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.856 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.94 -41.56 77.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 63.44 111.124 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -67.91 -40.5 83.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.25 110.887 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -68.0 -44.06 77.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.11 110.902 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -58.75 -26.6 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.834 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.1 m -63.13 -21.25 66.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 65.42 111.187 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -7.26 58.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 64.51 111.071 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.5 mt -103.74 4.32 35.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.907 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.24 -150.88 19.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.755 . . . . 72.23 112.476 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.4 18.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 70.13 112.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -61.38 132.53 53.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.947 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.0 mp -79.34 143.86 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 75.13 111.123 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -82.31 93.96 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 75.02 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -51.88 -31.79 29.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.863 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.25 154.74 0.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 55.31 112.465 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -85.79 -49.07 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 75.5 110.928 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.17 160.11 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.872 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -90.99 88.0 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.888 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.8 151.93 31.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 73.41 110.873 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.12 41.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.918 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -138.03 156.91 47.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.866 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -112.76 122.23 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 64.15 110.926 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -93.39 149.18 21.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 65.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -148.73 116.35 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.865 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.08 111.99 24.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.876 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 p -107.06 129.47 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.882 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.7 mt -105.63 90.52 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.55 110.937 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.69 -70.51 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 72.35 111.113 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.36 157.63 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 73.5 111.12 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 t -89.79 135.89 33.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 71.11 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.3 m -56.27 -39.64 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 75.12 111.127 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -178.14 171.05 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.0 m -135.18 13.27 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.23 111.129 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -67.21 -58.37 9.13 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.612 0.72 . . . . 72.52 110.912 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.74 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 71.12 112.359 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.43 159.96 84.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 61.42 111.091 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -23.87 30.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 72.03 112.347 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -63.57 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 63.45 110.873 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -113.61 17.14 18.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.872 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.11 144.26 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 75.24 110.85 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -136.99 166.76 22.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.89 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -136.22 146.25 46.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -80.81 155.63 26.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 74.35 110.905 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.73 150.29 6.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.779 -0.724 . . . . 71.21 112.492 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.3 p-90 -114.92 129.58 56.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.301 . . . . 74.22 110.937 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -91.37 175.59 6.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 72.31 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.8 116.97 7.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.867 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.75 112.35 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.889 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.94 160.06 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.968 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -137.03 126.8 25.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.5 118.93 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.09 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.28 175.54 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.22 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -64.29 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 64.42 110.927 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 36.34 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 75.24 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -168.66 -179.38 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 75.11 110.879 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.87 145.12 44.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.89 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.4 t -126.69 164.38 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.32 111.114 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -151.88 143.67 23.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.941 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -126.93 160.67 30.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -110.71 121.43 45.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.942 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -135.41 119.04 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 64.4 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -91.59 164.15 13.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.919 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.45 -164.64 35.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 64.42 112.473 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.6 tp -123.26 143.49 50.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 72.21 110.94 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -109.43 101.16 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.894 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -79.82 171.45 15.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 75.52 110.846 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -58.36 -29.16 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 65.11 110.887 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -88.67 -9.72 51.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.55 110.861 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.58 18.58 78.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 75.44 112.481 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.94 121.39 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 74.4 110.904 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -60.03 121.64 12.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 71.12 110.943 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.0 m -145.71 114.25 6.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 75.14 111.184 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.8 m -70.46 118.91 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 72.4 111.097 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.28 158.17 76.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 64.24 111.163 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 146.52 60.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 74.44 112.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.91 146.49 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 73.3 111.161 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -57.35 -176.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 65.41 110.878 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 169.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 64.42 110.847 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -53.3 -27.43 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 71.34 111.161 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -53.39 -42.25 66.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.901 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.8 t -79.72 -48.75 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 72.12 111.115 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.34 -33.29 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.35 111.118 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.29 -36.6 84.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.908 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -62.88 -46.31 88.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 61.31 110.884 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.79 -37.28 73.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.919 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.48 -41.62 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.8 -37.94 89.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 70.25 110.947 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.1 p -73.06 -28.4 62.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 74.15 111.091 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.25 -48.32 82.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.976 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 -69.24 -34.88 75.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.916 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -71.87 -29.34 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.872 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -45.72 88.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.924 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -69.83 -32.28 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 74.4 110.883 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.93 -47.73 67.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.862 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -67.1 -33.18 74.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.852 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -33.98 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.32 110.916 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -52.1 -42.82 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.856 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.63 -37.89 88.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 75.14 110.838 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.16 -51.01 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.932 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.42 -39.14 93.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 72.24 110.904 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.6 mt -64.95 -31.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.191 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.2 t -73.46 -24.26 60.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 74.3 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.4 mtm -92.14 -3.25 55.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.906 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 64.33 45.81 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.878 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.78 173.07 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 73.41 110.916 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.64 152.37 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.05 111.109 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -123.4 112.49 17.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.903 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -126.82 157.04 72.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 74.33 110.929 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 170.73 15.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 74.54 112.364 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.1 m -76.19 142.08 41.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 60.23 110.871 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.01 -25.9 46.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 71.34 110.882 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -95.84 25.81 4.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.909 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -111.69 109.09 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 75.41 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -117.67 -66.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.878 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -158.26 177.35 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 74.51 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 57.71 68.47 1.92 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.659 0.742 . . . . 74.44 110.908 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 158.62 56.31 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.231 . . . . 73.51 112.362 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.21 123.97 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.142 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -64.34 98.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.893 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.23 -36.6 78.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.899 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.6 m -100.57 64.82 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.898 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 73.41 111.111 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.348 . . . . 73.23 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.8 p -75.7 160.02 30.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 74.13 111.173 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.2 mt -63.83 154.13 81.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 73.12 110.911 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -17.08 37.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 71.3 112.326 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -17.97 50.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 71.13 110.816 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.91 28.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 71.1 112.499 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.84 149.22 36.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 73.32 110.849 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.73 127.23 14.32 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 75.22 112.358 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -32.99 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.935 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 p -68.27 -47.13 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.895 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -62.39 -41.31 98.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.866 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.06 -49.32 78.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.9 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.05 -48.36 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 73.25 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -35.05 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 72.03 110.888 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -72.97 -50.63 22.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 75.41 110.861 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.0 -29.84 67.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 74.43 110.846 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.9 m -59.56 -21.89 60.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 73.52 111.154 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.19 -7.82 59.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.52 111.101 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 39.0 mt -104.74 4.28 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.91 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.56 -151.31 19.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 55.51 112.491 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.6 21.1 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 63.32 112.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.06 123.67 18.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.923 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.03 138.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 74.23 111.158 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -83.26 102.43 11.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 75.22 110.892 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.47 114.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.86 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.84 175.33 0.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 75.45 112.502 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -57.56 -179.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 74.32 110.934 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 t -51.88 -45.94 64.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -95.48 64.61 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.897 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.49 144.96 35.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 52.24 110.924 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -127.86 -55.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 65.13 110.908 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -113.33 157.91 21.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.55 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -93.71 153.32 18.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.882 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -143.76 119.22 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.845 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.69 142.6 45.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.901 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -106.71 112.83 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.22 110.872 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 t -106.35 128.4 53.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 73.35 110.93 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.5 mt -110.56 108.37 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 71.35 110.934 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.88 -69.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 70.23 111.063 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.37 143.97 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 74.03 111.136 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 p -74.8 155.81 37.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.867 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.8 t -80.68 -51.54 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.4 111.117 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -152.14 168.64 24.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 71.33 110.89 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.5 p -120.26 -8.81 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.114 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 mtpp -51.51 -58.31 11.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.597 0.713 . . . . 71.54 110.914 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.0 Cg_endo -69.78 160.15 50.76 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.23 . . . . 72.25 112.371 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.62 160.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 72.44 111.082 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -36.48 10.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 74.2 112.384 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.13 -25.31 68.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.33 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -110.86 17.0 20.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 75.3 110.883 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -80.73 120.47 24.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.868 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -91.21 142.61 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.863 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -118.33 154.87 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 71.34 110.899 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -81.48 135.97 35.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.904 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.33 167.46 40.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.752 -0.737 . . . . 75.21 112.529 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -133.07 128.46 36.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.744 0.307 . . . . 74.23 110.973 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 41.1 p90 -91.99 167.42 12.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 74.51 110.916 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ttp -134.05 116.71 15.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 73.2 110.894 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -113.26 113.4 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 75.3 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 pp -134.5 159.47 41.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 71.03 110.91 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -127.41 111.39 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.905 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.35 141.18 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 75.1 111.07 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -108.08 -179.48 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.915 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.07 -64.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.855 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.56 41.57 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 74.02 110.887 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -158.24 179.72 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.841 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.97 132.88 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 72.31 110.859 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.7 t -111.01 163.99 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.107 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -154.83 143.31 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 72.3 110.936 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -121.2 139.44 53.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 73.44 110.849 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -114.87 103.91 11.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.939 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -135.99 146.79 47.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 73.53 110.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -94.01 160.72 14.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 72.51 110.911 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.98 -160.16 24.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 75.51 112.525 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tt -132.91 145.81 51.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 72.31 110.925 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -108.09 104.94 14.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.886 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.1 179.25 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 73.01 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -76.3 -29.1 57.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.33 110.918 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -81.63 -9.76 59.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 71.43 110.88 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.05 19.8 75.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.675 -0.774 . . . . 73.45 112.485 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -89.51 146.59 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 72.13 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -69.41 122.01 18.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.911 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 m -141.68 125.63 17.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.01 111.123 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.8 m -89.66 122.77 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.12 111.076 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 m -142.83 156.9 62.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 74.55 111.157 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.7 69.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 70.02 112.374 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.96 145.47 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 73.11 111.107 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -57.87 -175.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.85 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.48 167.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -53.15 -27.6 21.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 73.02 111.119 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -53.56 -42.14 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.831 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.7 t -79.6 -48.77 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.32 111.126 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -33.14 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.05 111.108 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.91 -37.41 87.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -66.72 -46.7 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.88 -34.87 72.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 71.3 110.882 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.68 -48.76 80.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.17 -50.94 71.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.902 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 52.5 p -60.26 -30.25 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 73.53 111.157 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 tt -73.72 -45.1 54.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 73.22 110.907 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -69.47 -49.48 54.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.875 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.35 -29.22 65.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.849 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -63.81 -35.09 79.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.858 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -63.38 -32.82 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.833 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -47.53 51.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.04 110.887 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -32.5 74.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.878 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -38.68 88.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.899 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -55.78 -47.89 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.844 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.04 -44.75 83.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.872 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.6 tp -58.99 -52.01 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.97 -33.03 72.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.885 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.1 -32.82 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 73.32 111.132 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -30.92 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.86 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.02 -2.31 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.858 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 63.19 46.89 4.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.873 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.37 153.92 19.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -94.04 159.61 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.124 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.6 mt -117.55 132.69 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.882 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -156.24 157.53 31.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.632 0.729 . . . . 75.23 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.82 18.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 73.42 112.368 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 t -110.77 -177.77 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 70.11 110.83 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -80.21 -22.94 41.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.27 -9.33 58.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.851 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -91.06 107.59 19.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.895 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -94.21 -74.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.875 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -175.06 179.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 61.21 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 60.95 68.33 1.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 75.54 110.886 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 158.95 55.15 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.719 2.279 . . . . 74.45 112.316 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.01 139.67 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 75.14 111.143 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -67.05 97.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 65.44 110.907 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.3 -34.99 66.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 75.05 110.887 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.3 t -102.98 46.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.869 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 70.24 111.065 179.878 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.852 0.358 . . . . 74.04 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.0 p -76.39 159.71 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.139 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.95 154.18 82.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.55 0.69 . . . . 72.41 110.968 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -17.11 37.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 75.45 112.336 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -20.36 56.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 70.1 110.903 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.14 2.04 31.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 52.05 112.475 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 140.31 22.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 75.12 110.837 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 124.94 11.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 72.44 112.382 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -69.66 -33.39 72.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.25 110.889 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -66.3 -33.71 76.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.843 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -77.91 -34.0 51.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 64.43 110.868 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -73.69 -48.99 28.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.3 mm -54.94 -43.19 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.107 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -67.89 -34.33 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 72.21 110.899 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -71.33 -49.46 42.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.907 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -58.62 -26.74 64.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.883 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.0 m -61.37 -21.66 64.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 72.1 111.129 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.26 -7.33 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.101 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.5 mt -103.54 4.02 35.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.2 110.939 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.03 -150.62 18.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.728 . . . . 73.25 112.494 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.1 19.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 73.12 112.352 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -61.63 129.6 41.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.929 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -76.56 139.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 75.35 111.161 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -83.75 113.08 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.881 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -52.08 -53.2 45.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 72.15 110.847 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.94 -137.83 13.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 74.2 112.484 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -167.72 -176.17 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 73.31 110.927 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t 62.06 30.4 17.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 60.43 110.921 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 39.45 41.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 70.45 110.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -52.27 157.67 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 53.21 110.861 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -111.16 26.54 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.925 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -135.18 161.09 36.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -110.87 135.59 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 75.42 110.904 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -93.37 147.38 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.904 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -147.97 138.83 23.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 74.5 110.878 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -106.85 113.46 26.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.924 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.1 m -105.32 102.87 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 72.45 110.901 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -104.75 90.42 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.927 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.31 -71.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 63.3 111.058 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.39 145.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.13 111.103 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.6 p -79.53 133.32 36.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.866 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 m -58.45 -39.39 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.24 111.093 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -179.72 -177.1 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.859 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.42 22.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 74.04 111.131 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 16.8 mttm -66.88 -58.42 9.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 74.4 110.959 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.0 Cg_endo -69.77 179.25 3.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 70.35 112.341 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.9 159.58 68.73 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.557 0.694 . . . . 61.44 111.111 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -23.68 30.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 74.44 112.331 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.86 -25.91 59.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 ptpp? -105.91 17.71 23.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.933 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.47 159.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 73.32 110.887 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -136.11 156.68 48.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 65.25 110.834 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -144.17 146.7 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 74.33 110.833 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -81.13 138.6 35.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 75.45 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -166.21 166.29 38.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 70.31 112.461 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -116.1 125.44 52.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 75.23 110.946 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -74.29 151.87 39.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 74.12 110.946 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.4 ttp -140.81 112.88 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -113.42 113.7 25.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.877 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 pp -119.22 156.6 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.892 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -131.24 111.58 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.878 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.89 126.37 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 65.42 111.093 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -178.26 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 75.02 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -52.96 -50.16 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.54 110.883 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.15 25.76 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -144.46 177.48 8.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 73.45 110.895 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.6 133.27 34.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 75.12 110.869 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.1 t -138.36 138.84 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 73.51 111.092 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -126.14 171.92 10.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.941 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -129.51 160.75 32.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 61.21 110.866 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -107.54 120.53 42.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.939 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -135.88 145.16 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 72.11 110.904 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.22 155.34 29.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.99 -152.38 19.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.723 -0.751 . . . . 64.34 112.48 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.7 tp -140.67 143.61 35.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 74.34 110.939 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -104.72 113.25 26.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 64.42 110.869 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -97.39 170.11 9.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.62 -16.65 62.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.916 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.17 -9.8 59.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.9 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.54 16.65 71.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 62.32 112.484 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -103.13 121.45 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 70.34 110.886 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -55.74 124.8 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 75.2 110.914 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.7 m -137.87 111.81 8.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 75.34 111.183 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.1 m -77.58 131.03 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 75.12 111.133 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.21 157.88 42.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 75.22 111.157 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 152.3 69.24 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.699 2.266 . . . . 74.01 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.9 mm -96.12 115.22 34.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 72.52 111.117 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -91.13 150.34 21.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 64.13 103.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.05 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -54.26 -27.87 37.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 65.55 111.171 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -53.58 -35.43 60.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 75.34 110.922 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.48 -45.76 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 73.43 111.135 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.61 -33.18 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.14 111.124 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.32 -36.42 83.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 62.21 110.9 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -72.1 -34.77 68.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.27 -36.16 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.902 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -69.45 -38.9 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 64.3 110.91 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -71.53 -36.48 71.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 71.55 110.887 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 p -65.31 -46.37 80.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.31 111.171 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -34.04 75.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.51 110.919 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -69.31 -45.13 70.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.841 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.59 -29.12 63.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.913 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -58.15 -35.22 71.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.2 110.828 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -70.11 -32.44 70.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.827 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.25 -48.98 78.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.83 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.8 ptmt -74.05 -32.54 63.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.9 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -35.51 73.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 70.41 110.931 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -59.58 -49.02 79.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.15 110.836 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -56.32 -45.83 80.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 72.52 110.899 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.8 tp -58.59 -51.61 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 73.25 110.909 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.52 -32.26 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.941 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.0 mt -68.01 -29.89 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.23 111.157 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.7 t -73.24 -24.63 60.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 61.31 110.873 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.1 ptp -104.61 -1.06 26.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 75.32 110.856 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 63.09 34.71 13.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.871 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.34 114.79 29.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.922 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.7 159.42 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 64.44 111.165 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.0 tp -124.95 135.48 52.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 74.03 110.911 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -145.5 160.16 45.8 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.614 0.721 . . . . 73.14 110.896 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 170.99 15.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 75.43 112.284 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.79 151.82 23.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.877 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.63 -24.63 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.87 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -95.89 26.39 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 62.12 110.848 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -91.06 110.81 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 73.54 110.861 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -81.45 -173.94 4.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.899 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -98.69 37.5 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.867 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -132.98 69.61 78.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 72.22 110.861 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 156.83 62.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.721 2.28 . . . . 74.32 112.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 85.3 t -60.26 134.51 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.162 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -83.96 98.02 9.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.941 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.98 -31.21 72.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 74.43 110.937 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 m -95.69 52.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.813 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 65.41 111.112 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.873 0.368 . . . . 74.23 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -75.77 160.67 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 72.11 111.17 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.21 153.9 79.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 75.41 110.913 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -17.35 37.46 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 73.24 112.321 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -20.46 55.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.86 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.17 0.27 31.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 72.42 112.523 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 139.74 22.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.607 0.718 . . . . 73.34 110.863 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 124.63 11.27 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.636 2.224 . . . . 64.34 112.383 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -42.5 71.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.881 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 p -61.47 -31.05 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 63.44 110.84 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -77.72 -43.66 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.874 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mp -68.17 -48.65 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.905 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.8 mm -54.84 -45.83 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 74.53 111.124 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -68.15 -34.13 75.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 72.43 110.882 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -68.99 -47.64 65.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.925 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -58.86 -30.55 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 74.42 110.912 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 m -61.01 -21.46 63.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 74.12 111.149 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.61 -8.92 59.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.096 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.9 mt -104.91 4.14 31.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.959 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.62 -148.55 14.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 63.14 112.461 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.33 24.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.252 . . . . 73.54 112.363 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -62.82 146.46 52.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.919 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.19 144.73 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 74.42 111.104 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 -77.74 93.84 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.873 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.9 160.59 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.857 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.13 175.9 36.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 72.35 112.466 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -118.98 122.16 41.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 71.05 110.852 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.4 m 55.77 27.1 10.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 74.42 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -101.06 -38.51 8.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 71.41 110.891 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -169.62 161.42 9.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 64.24 110.89 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.73 28.48 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.923 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -122.01 160.86 24.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 74.24 110.831 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -103.52 123.24 46.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -93.28 149.36 21.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 75.54 110.904 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -150.89 139.01 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.878 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -107.01 113.05 26.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 75.43 110.825 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.6 m -101.74 98.6 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 62.43 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.4 mt -111.07 107.01 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.15 -63.18 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.42 111.104 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.7 m -134.9 154.57 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 74.51 111.105 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -90.83 144.94 25.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.893 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.2 p -81.26 -31.08 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.185 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -177.54 149.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 75.32 110.892 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.5 p -127.81 1.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 63.24 111.147 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 3.0 mptt -51.33 -58.21 11.44 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.575 0.703 . . . . 75.44 110.901 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.1 Cg_endo -69.8 168.74 20.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 73.24 112.344 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.53 160.04 1.09 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.699 . . . . 74.03 111.121 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.94 30.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 74.01 112.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -63.53 -25.49 68.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 74.54 110.896 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -112.05 17.17 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.45 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 tpp85 -68.27 145.0 54.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.87 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -137.04 145.43 44.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.863 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -129.65 152.52 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.901 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -80.97 150.4 28.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.905 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.89 172.16 43.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 75.31 112.494 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -125.41 110.08 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 72.13 110.89 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -52.2 146.68 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.931 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -127.7 111.58 13.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 72.42 110.867 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.3 112.83 23.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.877 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -135.09 158.66 43.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.931 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -138.02 110.98 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.928 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.96 113.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 74.22 111.123 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -77.4 178.11 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.913 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -49.67 -49.22 48.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.847 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.21 15.93 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.882 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -134.78 169.28 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.885 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -129.36 149.82 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.02 110.916 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -125.23 161.54 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 72.05 111.107 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -152.56 145.06 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.934 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 160.73 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.03 110.904 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -114.16 120.28 39.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 75.51 110.874 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -135.72 127.42 29.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.912 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -96.71 162.18 13.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 75.03 110.855 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 163.08 -148.52 15.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 73.23 112.49 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 tp -127.53 145.67 50.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 72.33 110.889 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -118.63 111.17 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.879 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.35 -175.6 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.837 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -76.84 -29.64 55.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 71.11 110.907 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -4.51 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.907 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.77 26.06 11.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 72.41 112.452 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -69.68 130.06 41.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 74.43 110.878 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -75.36 121.32 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.905 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.0 m -146.18 129.78 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.23 111.136 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.5 m -97.91 116.63 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 64.02 111.123 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 m -140.83 156.59 68.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.626 0.727 . . . . 74.41 111.107 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 156.36 63.59 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.743 2.295 . . . . 74.45 112.325 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.62 145.04 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.104 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -57.77 -177.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 74.35 110.841 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -50.96 169.18 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 61.43 110.895 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 t -52.62 -27.54 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.5 111.148 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -53.49 -41.92 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.882 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.6 t -79.32 -48.79 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 72.34 111.129 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.22 -33.18 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.41 111.116 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.11 -36.55 83.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.872 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -64.62 -42.9 95.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.875 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.83 -35.19 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.53 110.91 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.13 -43.35 98.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -71.32 -36.26 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.922 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 76.1 p -67.35 -46.32 73.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 73.15 111.129 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 pp -72.37 -35.41 68.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -68.17 -43.2 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.845 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -72.8 -28.38 62.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -57.53 -41.74 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.922 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -70.39 -32.55 70.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 64.25 110.926 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.92 -48.58 80.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.895 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -73.8 -32.11 63.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.905 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.62 -35.74 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.908 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -49.16 71.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 75.24 110.938 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.55 -46.64 80.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.836 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.55 -51.28 70.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.909 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -31.74 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.901 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.6 mt -67.59 -29.98 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 75.15 111.155 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -73.79 -24.94 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 75.14 110.838 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.8 ptp -104.77 -2.3 25.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 75.14 110.894 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.96 36.53 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 72.05 110.929 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.3 115.18 30.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.903 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.32 153.35 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.21 111.074 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.4 tt -129.91 113.69 14.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.948 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -156.22 160.17 30.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 71.12 110.911 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.56 14.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 74.25 112.364 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.3 m -82.28 127.2 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.847 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -14.47 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 74.45 110.864 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -111.39 26.06 11.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 61.33 110.897 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -137.21 142.64 42.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.898 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -179.16 114.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -131.04 -75.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.874 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -175.52 74.48 0.29 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.751 . . . . 71.01 110.9 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.6 38.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 74.53 112.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 29.0 m -54.58 135.42 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 64.15 111.137 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -96.49 97.72 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 75.54 110.858 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.57 -26.91 68.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.934 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.4 t -83.83 58.29 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.05 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 60.25 111.105 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 75.23 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -136.84 159.5 41.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 73.31 111.145 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 mt -74.94 154.43 86.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 75.43 110.891 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -17.21 37.41 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.655 2.237 . . . . 75.2 112.317 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.81 -16.49 58.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 72.04 110.889 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.34 -13.32 33.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 72.31 112.473 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.37 152.75 73.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 73.23 110.804 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 124.48 11.13 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 73.02 112.331 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -69.87 -50.53 41.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.918 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.79 -42.4 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.84 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.11 -45.52 93.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 74.55 110.9 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.53 -49.12 78.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.913 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.2 mm -60.17 -46.13 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 72.43 111.115 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -61.68 -41.45 97.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.867 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -67.73 -49.85 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 74.04 110.871 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -58.9 -24.63 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.876 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.5 m -66.65 -21.68 66.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 61.44 111.096 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.16 -6.85 57.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 64.2 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.6 mt -102.64 4.11 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.883 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.65 -149.72 16.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 72.14 112.5 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.93 20.19 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 73.24 112.313 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -61.8 134.5 56.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.946 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -79.15 143.2 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 73.35 111.146 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -77.77 96.97 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -52.02 151.63 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.908 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.78 159.71 34.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.727 . . . . 73.31 112.46 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.14 -62.23 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 71.14 110.936 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 p -151.6 155.96 39.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 75.35 110.853 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 39.44 41.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 72.35 110.839 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -109.97 96.74 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.881 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -99.92 27.04 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.32 110.859 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.84 160.41 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.881 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -112.19 129.33 56.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.863 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -93.25 148.51 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.913 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -150.87 117.97 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 64.4 110.894 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -106.89 112.48 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.861 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.82 89.02 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.43 110.886 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.31 90.42 2.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.899 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.02 -54.17 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.113 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.6 m -155.73 139.47 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.03 111.104 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.7 p -68.11 128.93 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.856 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.35 -34.27 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 75.11 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -176.16 146.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.865 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -125.05 24.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.134 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.524 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -66.31 -58.23 10.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 72.52 110.865 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.6 Cg_endo -69.81 178.19 4.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 74.45 112.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.43 159.86 11.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 63.04 111.09 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -25.48 28.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.64 2.227 . . . . 73.44 112.366 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -63.67 -20.38 65.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 73.43 110.9 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -118.14 17.27 14.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.0 ptt-85 -69.22 143.91 53.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 72.15 110.874 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.91 166.89 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -140.09 151.76 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 65.52 110.906 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -80.95 159.6 24.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.908 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.2 174.19 27.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.73 . . . . 71.21 112.468 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -118.94 149.66 41.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.744 0.307 . . . . 73.24 110.918 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -89.44 133.34 34.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 72.31 110.886 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.9 ttt -115.32 112.32 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 65.11 110.894 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.93 113.41 24.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 74.33 110.869 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.26 154.18 47.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 64.2 110.952 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -137.64 110.99 7.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.863 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.91 113.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 70.11 111.129 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.557 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -80.84 -174.58 4.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.9 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.557 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 2.0 mt-10 -51.53 -54.62 25.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 63.3 110.924 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.5 41.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.52 110.906 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.2 mtt85 -157.95 179.86 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.1 110.861 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -143.57 144.51 31.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 71.53 110.853 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.7 t -141.43 140.14 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 74.34 111.1 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -129.74 172.65 11.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 73.04 110.921 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -144.78 159.82 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.89 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -116.74 121.34 41.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 75.55 110.917 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -135.76 132.52 36.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 74.11 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -97.07 157.39 15.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 74.33 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.95 -175.42 33.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 75.24 112.45 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.4 tp -107.6 143.39 36.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 75.35 110.899 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -110.07 102.27 11.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.918 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -78.59 170.1 17.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -26.3 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.872 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.22 -9.82 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.45 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.58 15.73 71.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 63.02 112.466 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -85.62 126.36 33.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 71.43 110.879 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -52.47 121.79 7.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 75.02 110.927 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -145.44 106.68 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 74.11 111.145 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.6 m -84.3 121.95 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.24 111.099 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.8 m -131.21 153.36 81.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 72.34 111.155 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 142.33 47.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 62.45 112.391 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.1 mm -93.34 115.59 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 74.42 111.087 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -96.48 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.893 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 63.19 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -54.33 -27.94 39.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 73.51 111.18 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -53.71 -35.1 60.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 75.2 110.856 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.9 t -78.67 -45.65 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.12 111.103 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -33.22 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 75.51 111.125 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.0 -36.83 85.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.878 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -69.53 -33.53 72.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.901 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.63 -34.87 72.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.959 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.02 77.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.914 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -71.6 -36.18 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 65.21 110.908 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -46.66 76.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 63.13 111.15 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.49 -34.71 72.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.899 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -66.7 -49.23 66.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.882 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.12 -28.65 62.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.916 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.63 -39.7 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 74.11 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -69.2 -32.6 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.51 110.897 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.57 -47.55 78.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.906 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -69.41 -32.86 72.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 74.13 110.875 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -35.63 81.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 74.4 110.913 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -43.4 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.853 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -64.99 -44.18 90.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.8 tp -58.27 -51.12 71.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 65.02 110.95 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.7 mt -61.74 -32.28 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.909 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 36.7 mt -70.05 -29.9 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.44 111.126 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.4 t -72.04 -26.08 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 71.52 110.847 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.9 ptp -101.99 -1.1 32.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 74.1 110.838 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 64.49 34.51 10.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 71.04 110.909 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.36 132.59 48.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 63.43 110.934 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.91 158.3 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.109 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.5 tp -129.63 137.75 50.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 75.14 110.931 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -155.72 160.41 30.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 71.33 110.917 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.33 14.68 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.687 2.258 . . . . 73.52 112.319 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.6 m -92.91 134.79 34.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.837 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -59.37 -23.22 62.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 73.24 110.889 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -9.27 59.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.11 110.839 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -105.21 150.5 25.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.862 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -99.55 -175.75 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 71.13 110.928 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -100.28 82.44 2.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.89 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -160.53 68.58 2.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 75.52 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.89 55.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 72.41 112.366 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 25.1 m -53.86 134.37 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 74.53 111.13 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -90.18 97.52 11.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 74.3 110.868 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.49 -32.33 64.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 75.55 110.904 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 57.0 p -103.8 64.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.893 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 64.44 111.079 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 ttm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.83 0.348 . . . . 73.24 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.4 p -75.89 160.5 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 70.41 111.174 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.56 153.79 81.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 72.12 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -17.27 37.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 73.03 112.323 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -19.21 54.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.856 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.25 -1.2 31.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 60.32 112.478 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.72 150.04 37.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 73.14 110.87 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 126.01 12.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 72.02 112.355 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -31.83 70.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.894 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -68.23 -46.86 69.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 71.35 110.83 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -61.97 -32.04 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 75.03 110.828 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.12 -45.97 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 74.01 110.897 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.7 -48.84 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 73.32 111.136 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.75 -35.77 81.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.919 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -68.03 -49.64 60.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.907 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -62.55 -24.99 67.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 70.12 110.809 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.7 m -60.94 -21.95 63.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 62.34 111.101 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.1 -7.62 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 72.53 111.106 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.0 mt -104.67 4.14 32.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 74.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.12 -151.0 19.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 51.32 112.467 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.78 20.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 73.13 112.367 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -61.89 122.9 16.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.987 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mp -69.58 140.12 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 73.34 111.097 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.48 118.81 19.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.851 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -73.63 -51.71 15.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.901 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.64 -179.7 40.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 52.13 112.52 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -115.72 -31.83 5.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 72.23 110.928 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.5 m -87.12 -179.33 6.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -52.84 128.86 28.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.02 78.15 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 72.51 110.829 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.07 -54.75 6.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.913 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -114.82 160.19 19.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.84 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -97.48 153.89 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -143.36 121.07 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -118.06 141.4 48.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -106.88 112.46 25.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 72.33 110.882 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.3 m -106.54 102.63 12.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.889 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.8 mt -73.29 89.8 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 72.41 110.885 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.78 -58.72 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 75.45 111.094 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.4 t -129.58 144.38 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.124 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.1 t -88.41 122.83 32.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 62.14 110.878 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.33 -23.1 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.41 111.096 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 67.29 129.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.34 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.86 152.17 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 72.15 111.136 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 23.8 mtpt -56.37 -59.27 12.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 74.43 110.875 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.72 -169.04 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.648 2.232 . . . . 74.3 112.363 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.36 157.5 6.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.721 . . . . 74.13 111.052 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -32.64 18.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 60.55 112.321 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.52 -19.12 64.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.849 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -84.02 -13.28 53.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.889 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -121.4 154.96 35.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 73.23 110.875 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -94.41 167.27 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 63.52 110.848 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -121.37 165.94 14.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 75.03 110.907 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -82.06 136.38 35.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.23 126.9 1.03 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 71.54 112.501 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -88.65 125.8 35.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.8 0.334 . . . . 75.41 110.901 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -84.18 156.66 21.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.943 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -128.02 121.07 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 71.14 110.917 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.04 116.94 30.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.867 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 pp -130.33 159.91 35.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 70.34 110.929 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -130.96 111.97 12.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.877 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.93 135.72 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 65.12 111.063 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -100.44 -173.83 2.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.945 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -53.33 -57.74 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 74.12 110.921 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 26.96 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.929 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -147.34 169.96 18.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.874 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.71 163.07 24.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.865 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -140.0 164.7 29.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 75.41 111.135 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -158.51 143.54 16.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 75.44 110.925 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.81 160.47 35.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.859 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -100.7 113.57 26.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.947 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -135.48 116.8 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.42 110.918 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -92.04 151.46 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.41 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -175.37 -146.65 5.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 62.52 112.496 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -145.41 143.6 30.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 73.4 110.916 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -105.22 115.26 29.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.904 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.59 -178.99 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.901 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -81.43 -24.21 37.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.13 110.924 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.42 -10.21 44.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 60.53 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.4 13.91 68.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 73.14 112.493 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.73 148.82 25.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 71.21 110.888 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -54.84 129.42 37.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 75.21 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -145.25 108.48 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 74.51 111.145 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -84.97 119.91 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 72.44 111.148 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.44 133.51 9.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.695 0.76 . . . . 72.4 111.12 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 141.69 46.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 74.23 112.38 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 28.8 mm -73.53 151.19 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 72.44 111.136 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.72 -173.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.22 110.926 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.96 169.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.947 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -52.42 -27.52 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 73.44 111.155 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -53.45 -42.48 67.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.904 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.7 t -79.97 -48.64 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 75.22 111.145 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.34 -33.04 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 71.3 111.167 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.01 -35.58 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -38.98 79.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.9 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.87 -34.93 72.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 73.13 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -56.65 -36.97 70.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 62.15 110.879 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -68.15 -51.19 48.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 65.44 110.919 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.1 p -63.45 -25.49 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 62.43 111.112 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.19 -54.64 38.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 72.42 110.9 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -71.03 -42.09 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.855 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.99 -29.33 63.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.854 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -68.99 -40.06 79.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 73.01 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -70.33 -32.75 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.815 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -48.47 81.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 54.23 110.903 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -73.74 -31.58 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.894 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -35.67 72.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 72.32 110.853 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -62.14 -46.51 88.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 75.04 110.881 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.48 -46.32 80.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.84 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.5 tp -58.51 -51.39 70.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.52 110.903 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.62 -32.06 72.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.937 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.0 mt -68.59 -30.05 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.1 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 t -73.26 -24.47 60.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 70.01 110.865 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.2 ptp -104.26 -2.02 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 73.24 110.886 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 63.81 34.86 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 70.41 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -102.92 121.44 42.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.909 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.38 159.54 32.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.139 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.1 tp -128.91 139.93 51.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.926 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -145.36 160.48 45.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 73.14 110.902 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 171.35 14.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 71.02 112.346 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.7 m -99.93 147.69 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 74.24 110.827 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -67.89 -23.01 65.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 74.54 110.911 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -95.77 26.44 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 64.55 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -91.02 121.67 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 71.52 110.882 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.49 -176.94 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.938 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.12 25.61 11.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.876 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -134.2 70.0 73.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 74.03 110.872 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 159.05 54.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.646 2.231 . . . . 73.11 112.371 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.9 m -54.19 141.46 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 73.13 111.077 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -73.96 97.32 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.944 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.7 -35.97 65.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 71.52 110.902 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.0 t -102.31 65.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 72.15 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.14 111.076 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.2 mmm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 64.21 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p -136.91 159.27 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 74.11 111.167 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.72 153.99 95.13 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 74.12 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -23.89 30.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 74.21 112.315 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 p -71.12 -16.62 62.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.53 110.884 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.47 -8.09 32.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 71.13 112.537 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.57 153.09 61.33 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.586 0.708 . . . . 75.13 110.912 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 123.78 10.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.735 2.29 . . . . 73.4 112.361 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -71.17 -54.31 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 74.23 110.849 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.4 m -54.14 -43.23 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.84 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -62.0 -47.42 84.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.86 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.92 -43.98 91.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.852 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -59.52 -48.49 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.52 111.13 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -34.17 76.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 74.13 110.962 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -68.31 -52.53 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.894 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -59.09 -25.95 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.864 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.1 m -60.64 -21.93 63.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.21 111.124 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 -8.09 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.51 111.056 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.5 mt -104.88 3.86 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.883 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.46 -150.7 16.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 74.23 112.466 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.1 22.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 75.34 112.349 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.88 121.28 13.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.9 mp -67.32 140.93 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 74.5 111.139 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -77.96 93.62 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -93.26 141.43 28.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.912 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.76 -147.32 17.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 72.21 112.487 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -53.77 -33.73 56.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 72.11 110.901 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.0 m -52.49 -48.24 66.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 75.52 110.855 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -84.95 116.96 23.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 74.05 110.86 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -98.67 -64.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -127.8 -55.46 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.901 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -98.27 138.27 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 64.44 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -61.31 145.58 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 72.21 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -130.94 113.85 14.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.872 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.03 133.1 56.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 64.31 110.841 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.95 112.32 25.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.896 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -106.76 130.26 54.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 61.34 110.855 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.31 131.48 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.917 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.06 -64.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.3 111.1 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -150.32 133.49 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 60.31 111.078 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.2 m -67.64 118.55 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 74.55 110.866 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.7 t -53.28 -36.9 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 75.4 111.115 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -153.99 140.35 18.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 71.45 110.932 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.4 p -116.26 -21.43 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.117 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.622 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 8.7 mtpt -66.43 -52.01 39.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 74.24 110.908 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.2 Cg_endo -69.71 163.72 37.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 74.13 112.344 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.81 160.1 1.18 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 74.21 111.098 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.62 24.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 63.22 112.313 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -80.24 -1.77 42.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.904 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -115.77 -14.06 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.887 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -91.53 159.59 15.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.4 110.823 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -130.3 166.98 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.894 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -126.48 140.17 52.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -80.96 157.9 25.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 75.22 110.92 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.29 177.54 38.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.799 -0.715 . . . . 72.22 112.477 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -130.22 115.82 17.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 74.03 110.893 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -59.01 120.81 9.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.913 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 ttt -93.07 112.07 23.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.858 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.8 113.52 25.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.887 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.57 159.49 41.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 72.11 110.927 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -133.37 111.59 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.51 110.892 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.83 116.25 9.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 74.22 111.112 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.545 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -88.4 -172.28 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.911 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.545 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 5.9 mt-10 -52.66 -52.4 55.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.909 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.69 25.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -139.58 145.93 39.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.22 110.838 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -120.37 138.19 53.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.906 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.6 t -121.93 164.27 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 74.55 111.158 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -151.8 161.22 43.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.933 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -148.09 160.87 42.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.877 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -110.61 114.83 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.915 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -135.79 130.35 33.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -91.9 164.34 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 73.32 110.887 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.07 -173.79 42.94 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 71.42 112.495 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -109.15 131.41 55.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 73.3 110.91 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -107.03 95.25 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.893 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -72.0 175.76 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 54.34 110.862 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -75.81 -29.19 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.914 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.89 -9.85 41.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.884 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.91 19.5 28.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 64.41 112.481 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -69.79 140.23 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 75.12 110.886 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 47.4 p90 -95.3 122.48 38.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.4 m -145.73 137.11 24.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.22 111.154 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.0 m -98.0 116.08 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 75.22 111.098 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -139.88 158.2 68.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 74.44 111.133 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.52 60.05 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 70.13 112.344 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.6 mm -92.24 146.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.42 111.165 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -58.49 -174.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 72.15 110.878 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -50.42 167.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 t -53.57 -27.54 26.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.129 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -53.56 -42.27 67.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.886 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.6 t -79.69 -48.71 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.54 111.15 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.23 -33.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 71.11 111.128 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.21 -36.31 81.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 65.13 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -73.01 -31.91 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 73.22 110.86 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.94 -34.84 73.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -40.95 80.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.856 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -71.65 -36.24 70.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 73.35 110.953 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.8 p -65.65 -46.47 79.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 73.52 111.115 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.03 -34.15 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.94 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -68.57 -44.17 74.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 74.52 110.899 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.62 -29.26 63.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 70.42 110.892 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -58.28 -40.93 83.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.895 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -70.28 -32.57 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 74.14 110.808 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.76 -48.8 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 61.32 110.923 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -74.06 -32.15 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 72.22 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -35.72 82.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.52 110.915 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -62.72 -44.02 97.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.929 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -55.72 -46.79 77.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 74.34 110.893 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.2 tp -58.86 -50.0 75.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.918 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.73 -36.23 83.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 75.2 110.875 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.3 mt -60.94 -39.13 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 74.43 111.141 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -22.03 60.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.86 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.3 mtm -95.23 -7.85 37.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 72.33 110.869 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 63.47 41.71 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.857 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -103.47 137.63 41.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.905 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.27 138.12 57.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.41 111.084 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.6 tp -129.55 133.15 47.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 71.43 110.935 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -146.59 159.95 42.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.677 0.751 . . . . 64.32 110.861 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.27 14.76 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.658 2.239 . . . . 53.53 112.327 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.1 m -73.55 138.33 44.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.799 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.48 -22.42 54.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 71.51 110.835 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.68 25.86 4.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.816 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -93.27 107.66 19.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.873 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -93.28 -175.71 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 74.53 110.849 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.79 54.04 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 63.53 110.877 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -164.02 68.25 1.56 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.677 0.751 . . . . 71.53 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 159.13 54.55 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.687 2.258 . . . . 65.03 112.378 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.0 m -53.77 124.27 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.52 111.121 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -66.97 97.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.13 110.902 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.7 -30.84 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 70.42 110.934 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.4 m -105.39 45.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.847 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 64.24 111.114 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.859 0.361 . . . . 65.43 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.8 p -119.84 159.76 23.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 74.04 111.112 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.35 153.9 91.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 74.05 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -22.54 31.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 75.15 112.325 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -18.53 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.45 110.889 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.35 1.06 31.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.745 . . . . 60.54 112.485 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.52 153.07 40.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 63.44 110.853 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 125.04 11.67 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.277 . . . . 70.41 112.325 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -69.5 -50.56 44.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.872 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -54.71 -43.7 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 75.41 110.871 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -62.05 -45.72 92.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.864 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.61 -48.31 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.898 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.78 -43.43 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 64.52 111.141 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -67.98 -41.68 81.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.929 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -65.46 -47.88 74.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.896 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -58.79 -26.03 63.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.898 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.0 m -62.76 -21.38 65.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 71.15 111.128 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.18 -7.3 58.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 64.32 111.088 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.0 mt -104.37 4.23 33.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.05 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.52 -149.39 16.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 75.52 112.505 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 168.91 20.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.256 . . . . 74.14 112.336 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -61.92 122.11 14.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.959 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mp -68.06 140.77 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.145 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -86.38 120.59 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.859 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -51.22 -65.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 75.24 110.912 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.83 18.08 14.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.72 . . . . 71.44 112.526 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 39.42 41.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.75 0.31 . . . . 75.32 110.905 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -142.57 157.51 44.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.866 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -111.48 -37.53 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.899 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -112.72 89.31 3.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 73.02 110.901 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -163.3 -177.03 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -98.07 160.24 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.21 110.817 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -79.41 135.97 36.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -120.26 123.28 42.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 73.35 110.882 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -120.04 133.1 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -106.8 112.41 25.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 75.12 110.864 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 m -106.72 133.82 50.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 mt -110.57 97.98 7.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.3 -71.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 71.24 111.088 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.2 m -125.86 144.0 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 72.53 111.147 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.7 p -84.87 128.2 34.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 72.35 110.854 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.92 -33.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 74.43 111.07 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -130.1 108.58 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 75.31 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.1 p -121.84 -7.54 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.21 111.15 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 8.2 mtmm -66.38 -58.04 11.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 72.22 110.892 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.9 Cg_endo -69.72 177.46 5.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 71.43 112.351 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.43 160.28 1.01 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 63.03 111.094 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -23.36 31.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 73.41 112.364 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.79 -24.69 67.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.35 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -109.86 16.94 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 72.12 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.74 146.07 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.906 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -137.09 139.36 41.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 63.14 110.915 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -121.74 146.1 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.7 m95 -81.56 128.62 34.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.923 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -153.68 168.78 32.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 70.2 112.457 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 11.7 p-90 -115.49 155.03 28.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.732 0.301 . . . . 74.42 110.944 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -104.95 116.28 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 74.44 110.874 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.5 ttt -108.21 112.74 25.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 74.53 110.908 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -112.75 118.5 35.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 73.34 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.58 155.71 46.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 72.15 110.918 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -137.73 115.92 11.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.854 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.22 141.04 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.4 111.092 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -170.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 75.54 110.872 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.06 -51.45 69.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.915 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -143.6 25.4 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.03 110.928 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -146.81 171.26 15.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.837 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.68 136.4 39.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 70.2 110.92 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -105.17 164.67 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 71.13 111.141 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -156.96 143.38 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.931 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -147.57 160.58 42.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.881 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -133.06 133.63 43.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.929 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -130.22 145.76 51.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 71.13 110.918 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -91.84 146.41 23.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.06 -144.06 7.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 63.12 112.486 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 tt -145.35 145.9 31.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 73.25 110.96 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -121.38 120.44 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.879 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -97.74 -176.44 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.866 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -77.57 -23.57 49.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.955 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -78.23 -9.7 59.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.42 21.35 77.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 53.12 112.509 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -91.64 121.46 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 74.42 110.881 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -63.0 122.66 16.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 72.32 110.925 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.9 m -142.36 121.4 12.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 75.05 111.143 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.01 131.4 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.142 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.1 t -145.0 132.76 10.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 73.25 111.107 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.57 48.23 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 71.25 112.345 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.9 mm -92.41 118.64 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 75.02 111.195 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.45 152.88 18.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 70.43 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 63.86 105.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.861 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.1 t -52.93 -28.85 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.11 111.142 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.86 -38.04 64.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.914 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.1 t -78.66 -47.05 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.114 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -32.89 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 55.1 111.161 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.87 -34.52 77.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 75.42 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -34.63 63.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 73.54 110.887 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.5 -41.09 73.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.936 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -69.1 -32.69 72.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.911 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -71.68 -36.4 70.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 75.45 110.873 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -46.41 80.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 75.13 111.143 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.07 -34.2 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.892 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -49.01 57.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.912 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -65.36 -29.5 70.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 45.01 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -66.61 -34.57 78.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.908 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -46.41 67.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.4 110.875 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.88 -47.91 81.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -32.19 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 75.35 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -34.38 71.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 62.3 110.902 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -42.77 64.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.01 110.885 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.78 -35.81 81.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.83 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.84 -51.02 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.882 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.1 mt -64.03 -41.28 97.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.93 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 30.9 mt -61.2 -36.12 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.12 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.6 t -67.86 -22.92 65.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 75.21 110.885 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 28.4 mtm -95.74 2.73 54.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 74.02 110.895 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 63.5 43.31 5.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.13 161.35 15.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.903 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -111.56 159.53 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 63.34 111.127 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.1 mt -120.95 142.61 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 72.04 110.938 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -137.33 160.6 64.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 51.5 110.923 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 171.28 14.66 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.757 2.304 . . . . 74.34 112.354 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -101.92 158.27 16.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.879 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.04 -16.66 52.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.865 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -95.45 25.35 4.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.858 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -111.09 107.55 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 70.11 110.911 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -89.63 -74.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.03 110.906 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.65 -172.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 56.91 68.29 2.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 71.33 110.891 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 158.99 55.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.272 . . . . 72.04 112.354 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.3 m -54.33 128.46 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.21 111.133 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -79.61 97.39 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.4 mp -73.74 -35.3 65.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 74.34 110.916 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.2 m -98.68 50.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.837 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 75.42 111.132 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.868 0.366 . . . . 72.51 110.919 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -96.12 161.08 14.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 70.35 111.068 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.37 153.52 82.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 73.11 110.909 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.17 37.92 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 63.23 112.383 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.84 -18.59 60.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.845 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.41 4.29 30.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 65.23 112.467 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.85 138.0 22.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 74.32 110.811 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 125.87 12.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 73.31 112.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -41.33 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 75.11 110.919 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.2 t -57.86 -30.36 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 74.1 110.846 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -77.88 -49.15 14.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.874 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.38 -46.6 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 64.53 110.974 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.3 mm -61.76 -33.1 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 65.52 111.133 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -68.8 -49.4 58.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.884 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -66.71 -42.08 86.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 71.23 110.925 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -62.33 -21.31 65.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.905 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.1 m -74.91 -21.51 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 71.35 111.127 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.72 -7.42 58.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 73.41 111.105 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -104.3 4.18 33.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.911 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.8 -153.27 20.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 72.14 112.492 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 168.93 20.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 72.3 112.33 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.89 134.63 56.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.963 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -80.21 143.87 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 74.14 111.143 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.1 ttt-85 -81.25 93.85 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.1 110.855 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -53.13 171.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.879 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.58 144.47 11.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 75.02 112.478 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -120.93 51.17 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.744 0.306 . . . . 73.14 110.926 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 83.7 m -125.84 -174.95 3.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.922 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -54.19 173.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.54 110.897 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.45 120.86 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.12 110.871 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -141.91 -177.27 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 70.3 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -101.74 160.4 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.03 110.836 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -68.17 156.11 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 74.04 110.879 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -128.17 145.39 51.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.845 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -147.98 134.29 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.874 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.73 113.16 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 61.32 110.851 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 t -99.05 125.31 44.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 70.23 110.893 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 mt -109.52 130.88 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 74.15 110.917 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.61 -49.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 45.43 111.119 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 m -154.01 153.18 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.108 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.5 t -90.6 142.82 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 71.13 110.899 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -81.18 -32.78 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.34 111.139 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -171.87 138.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.1 110.903 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.51 21.3 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 75.42 111.112 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -66.76 -58.43 9.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 74.55 110.899 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.69 -175.96 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 75.34 112.358 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.32 160.05 53.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 64.51 111.057 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -35.01 13.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 74.51 112.364 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.05 -25.5 65.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.32 110.873 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -110.49 17.09 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 74.55 110.87 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -78.79 148.55 32.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -110.69 146.85 35.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.853 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -133.07 148.63 52.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 64.12 110.902 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -80.65 146.33 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.883 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.02 -139.69 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 74.02 112.442 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.3 p-90 -175.69 126.43 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 73.41 110.904 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 18.1 p90 -84.99 143.94 28.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 tmm? -125.55 112.96 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 73.4 110.904 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -113.35 116.52 29.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.849 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.68 159.45 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.912 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -135.63 111.62 9.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.857 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.48 117.5 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 72.24 111.129 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.94 -169.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.937 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -51.71 -54.13 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.904 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 26.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.42 110.934 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -145.0 161.21 39.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.881 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -120.8 156.81 31.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 72.15 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -141.07 158.77 43.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 65.04 111.126 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -158.48 169.16 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.878 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 151.91 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 75.04 110.897 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -113.02 116.43 29.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.943 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -132.08 146.53 52.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 64.33 110.919 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -94.85 148.25 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.76 -146.27 5.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 74.21 112.448 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.8 tp -144.8 145.86 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 71.11 110.93 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -99.98 98.84 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 74.15 110.907 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -78.74 175.89 10.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.863 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -25.38 44.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.905 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -87.12 -9.65 54.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.65 18.67 74.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 64.32 112.506 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -95.84 135.0 38.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 75.42 110.892 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -52.56 126.05 18.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.946 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -137.3 106.39 6.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 65.12 111.147 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.4 m -64.4 114.98 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 74.22 111.12 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.26 133.17 9.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 74.31 111.172 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 150.83 69.22 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 74.32 112.388 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.3 mm -96.7 122.22 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.14 111.14 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -96.36 155.42 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.52 110.839 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 62.93 105.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 74.5 110.91 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -52.58 -28.76 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 61.45 111.159 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.92 -34.93 61.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.899 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.1 t -79.89 -33.64 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 71.21 111.083 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.71 -34.58 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.52 111.115 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.14 -29.14 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.7 tpp180 -74.6 -43.07 57.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.897 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.94 -34.88 76.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.962 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.7 -41.45 77.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.89 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -71.85 -37.22 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.935 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.8 p -66.31 -46.6 76.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 75.42 111.178 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.97 -35.44 69.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.931 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -67.76 -42.35 81.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.4 110.85 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -72.75 -32.49 65.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.874 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -61.02 -35.39 76.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.908 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.26 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 72.43 110.872 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.7 -47.76 79.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 61.24 110.847 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -32.63 69.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 71.23 110.904 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.31 -35.6 80.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 61.42 110.884 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -39.29 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.902 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -57.87 -46.87 84.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.892 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.2 tp -58.7 -51.23 70.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.903 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.8 -31.56 69.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 75.54 110.89 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.7 mt -70.89 -29.8 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 72.31 111.105 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 t -73.61 -26.4 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 62.34 110.885 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.5 ptp -98.69 -1.34 40.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 73.44 110.923 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 64.0 35.13 10.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.08 113.89 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 65.54 110.923 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.44 148.81 31.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 62.22 111.124 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 tt -129.72 141.69 50.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 75.33 110.907 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -147.48 160.3 39.33 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.668 0.747 . . . . 72.12 110.885 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.37 14.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.239 . . . . 73.22 112.359 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 m -75.34 147.61 39.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 62.13 110.871 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -69.25 -18.82 63.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 72.21 110.847 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.67 26.57 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.851 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.94 138.74 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.874 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -98.03 -179.19 4.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 71.14 110.894 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -94.58 65.7 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 62.04 110.864 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -150.74 67.94 8.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 75.31 110.916 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 158.78 55.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 74.43 112.345 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 38.0 t -62.13 117.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.34 111.122 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -69.45 97.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 75.23 110.932 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.8 mp -73.76 -28.2 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 72.02 110.928 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 t -85.68 61.97 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.852 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.25 111.12 179.875 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.859 0.362 . . . . 73.02 110.845 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.6 p -100.91 159.44 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 65.13 111.128 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.93 153.55 88.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.608 0.718 . . . . 70.44 110.934 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.27 31.0 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.717 2.278 . . . . 73.33 112.312 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -17.64 62.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.865 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.39 -4.8 31.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 55.1 112.504 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 150.57 44.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.571 0.7 . . . . 75.24 110.873 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 124.19 10.83 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.639 2.226 . . . . 75.44 112.338 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -70.63 -46.52 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.863 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -53.91 -46.97 71.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 65.22 110.849 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -62.28 -48.57 79.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 64.2 110.851 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.12 -49.02 79.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.31 110.94 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.7 mm -57.37 -45.53 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.52 111.123 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -37.54 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.896 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -67.08 -51.45 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.952 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -58.54 -26.65 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.894 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.0 m -63.14 -21.35 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.3 111.145 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -7.9 58.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 71.13 111.121 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 mt -105.01 4.27 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.942 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.97 -151.71 19.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 53.23 112.516 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.98 20.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 74.05 112.378 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -61.76 127.02 29.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 73.2 110.923 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 mp -74.89 141.91 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 73.3 111.094 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -87.57 115.91 25.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.52 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.35 -58.23 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.899 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.32 -133.0 11.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 70.3 112.456 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -139.16 -176.38 4.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 74.34 110.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 m -66.51 -170.96 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.86 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 59.6 95.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.891 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 56.06 83.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 61.53 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -66.38 98.73 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.54 110.885 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -98.61 152.11 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.864 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -96.75 139.59 32.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.899 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -116.87 141.15 48.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.9 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -134.29 136.37 43.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.87 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -106.77 112.74 25.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 73.23 110.859 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.8 t -94.26 120.39 34.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.925 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.1 mt -109.77 123.26 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 73.13 110.93 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.01 -47.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 72.12 111.09 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.9 157.0 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 73.13 111.118 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.93 133.54 33.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 61.52 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 t -66.53 -48.65 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.33 111.121 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -167.45 131.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 65.14 110.904 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -96.08 26.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 64.51 111.13 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.7 mtpm? -66.86 -58.38 9.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.556 0.693 . . . . 73.33 110.908 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.0 Cg_endo -69.76 179.32 3.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 75.44 112.358 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.35 160.01 1.42 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 70.35 111.101 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -31.09 21.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 73.12 112.322 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -71.16 -25.62 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.91 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -98.86 17.07 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 74.24 110.915 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -56.65 142.4 39.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 64.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -118.27 132.72 56.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.868 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.46 160.09 21.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.31 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.1 m95 -93.52 149.89 20.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.935 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.43 -145.93 7.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.729 . . . . 63.14 112.52 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -166.41 119.76 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.321 . . . . 74.34 110.916 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -74.8 151.03 39.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.907 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 21.7 ttp -145.72 117.21 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.848 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -110.38 114.04 27.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.42 159.41 23.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.912 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -136.69 117.93 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.875 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.61 148.27 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.34 111.1 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.26 -176.88 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.933 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -52.04 -51.69 55.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.905 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.9 30.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 75.02 110.925 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -155.24 176.95 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.888 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.96 150.7 51.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -141.04 157.17 45.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 73.11 111.149 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -153.71 167.13 30.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 74.31 110.969 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -132.24 160.53 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.86 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -106.08 106.47 17.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -134.51 125.87 28.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 74.35 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -91.85 165.01 13.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 70.45 110.928 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.6 -143.61 6.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 73.13 112.5 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 tt -145.44 145.56 31.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 74.35 110.917 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -105.9 105.62 15.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 73.33 110.889 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.54 178.26 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 75.11 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -30.03 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 75.22 110.883 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -105.36 -9.74 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 75.43 110.92 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.88 18.66 79.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 70.44 112.485 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.38 141.0 47.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 72.41 110.913 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -52.2 122.53 8.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.877 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.3 m -145.14 106.34 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.04 111.172 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.0 m -66.7 114.28 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 74.43 111.105 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.38 133.73 9.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 72.45 111.144 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 149.38 66.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 72.54 112.335 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.3 mm -84.01 148.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.114 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -173.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.3 110.891 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -50.2 167.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.33 110.892 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -52.88 -27.77 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.167 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -53.67 -42.11 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.865 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.4 t -79.53 -48.75 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 75.35 111.101 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.28 -33.22 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.22 111.152 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -63.02 -35.99 82.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -68.45 -40.11 81.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.72 -34.91 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.94 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -59.38 -37.98 79.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.885 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -70.97 -33.81 70.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.935 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 30.1 p -74.4 -30.78 62.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 63.44 111.169 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -73.17 -37.79 66.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.913 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.423 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 15.8 ptm180 -72.39 -38.0 68.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.52 110.845 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.55 -38.17 68.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.896 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.96 -35.83 77.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.841 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -40.97 73.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.862 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.38 -47.06 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 64.53 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -33.08 70.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 70.1 110.873 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -34.83 70.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.51 110.932 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -38.84 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 74.3 110.872 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.1 -36.32 82.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.861 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.7 tp -66.6 -51.12 59.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.878 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.92 -35.17 79.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.886 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.64 -30.38 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.4 111.16 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.5 t -73.69 -23.87 59.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.859 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 32.6 mtm -99.35 1.75 44.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 71.11 110.887 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 63.56 33.44 13.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 72.21 110.882 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.35 136.04 44.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 75.25 110.932 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.7 153.57 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 74.12 111.122 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.9 tt -129.82 141.66 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 72.35 110.898 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -134.17 160.31 69.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.663 0.744 . . . . 75.15 110.877 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.72 15.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 74.25 112.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.82 -179.26 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.01 110.842 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -75.07 -33.63 61.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 71.13 110.861 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.25 26.49 4.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 64.04 110.845 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -92.94 152.43 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 70.23 110.895 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 63.23 41.34 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 64.41 110.877 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -126.95 -39.2 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.861 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -170.62 68.35 0.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 75.23 110.919 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.14 68.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.242 . . . . 74.35 112.366 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.06 170.37 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 72.03 111.128 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -75.2 98.37 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.892 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.19 -25.75 64.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.945 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.6 t -96.2 28.23 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.886 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.33 111.143 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.875 0.369 . . . . 75.42 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.8 p -77.68 159.74 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 63.33 111.119 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mt -66.91 153.72 93.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 73.13 110.908 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -18.59 37.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 2.287 . . . . 63.31 112.35 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -76.36 -14.31 60.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.893 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.55 -21.11 26.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 75.32 112.549 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.54 147.97 87.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 71.12 110.877 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 123.61 10.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 73.52 112.382 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -71.57 -55.5 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.34 110.865 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -54.35 -43.54 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 74.43 110.853 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -61.27 -36.82 81.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.859 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mp -68.42 -41.0 81.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 62.21 110.861 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mm -55.95 -48.97 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.096 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -34.34 77.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 74.4 110.913 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -65.95 -50.2 65.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.9 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -64.64 -22.9 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 64.35 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.4 m -65.56 -22.34 66.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 75.23 111.131 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.95 -8.69 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 74.34 111.114 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 mt -105.16 4.03 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.943 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.94 -154.16 22.18 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 64.22 112.469 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.7 20.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 73.54 112.364 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -62.11 130.15 44.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.921 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -77.7 141.76 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 75.14 111.152 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.0 97.54 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 53.01 110.845 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -54.12 -73.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 72.42 110.905 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.01 178.63 27.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 74.41 112.509 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -112.08 -25.92 9.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.777 0.322 . . . . 74.51 110.88 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.3 p -54.45 161.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.926 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.11 47.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 63.45 110.927 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -95.2 151.45 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 74.35 110.868 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -104.1 49.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.842 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -129.76 160.17 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.914 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -120.1 115.16 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.828 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -95.84 144.39 26.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 71.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -139.48 116.48 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.898 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -106.91 111.54 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 74.52 110.899 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -107.39 160.46 15.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.915 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.7 mt -110.89 98.26 7.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.918 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.49 -70.93 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 65.33 111.087 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -144.74 151.43 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 73.12 111.093 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 t -84.68 116.09 23.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.872 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.3 p -81.82 -25.17 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 72.41 111.108 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -87.93 118.68 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.92 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -150.89 -41.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 71.21 111.129 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 35.0 mttt -66.61 -57.46 12.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 73.22 110.915 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.2 Cg_endo -69.78 178.26 4.76 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.711 2.274 . . . . 71.44 112.291 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.36 159.8 4.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.542 0.687 . . . . 73.51 111.117 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -22.16 32.24 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.645 2.23 . . . . 71.34 112.298 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.68 -17.53 55.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.883 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -99.73 18.16 18.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.72 121.74 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.876 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -136.96 126.78 25.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.857 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -112.99 149.11 33.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.918 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -80.71 141.91 34.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.925 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.24 -173.24 14.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 45.13 112.503 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -88.44 -174.97 4.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.696 0.284 . . . . 73.45 110.968 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -170.38 50.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 74.02 110.893 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.5 ttp -92.36 115.38 28.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.886 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.14 113.62 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.53 110.896 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.73 159.38 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 75.24 110.858 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -132.94 111.02 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.919 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.24 117.11 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 71.11 111.114 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.33 -169.4 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 75.14 110.863 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.29 -63.24 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 72.15 110.863 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.91 40.71 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 71.22 110.92 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.56 174.52 12.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.876 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -144.5 126.85 15.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.52 110.92 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -108.69 164.1 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.183 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -151.95 156.21 39.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 75.04 110.893 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -141.81 141.68 33.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 75.03 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -84.84 103.92 14.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 75.11 110.913 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -136.0 146.71 47.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 72.25 110.929 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -109.05 155.59 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 70.21 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.11 -166.06 16.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 73.42 112.52 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.9 tt -138.12 145.93 42.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 73.14 110.908 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -99.89 109.83 22.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.32 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.27 -179.17 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.855 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.33 -26.09 68.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 70.43 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.08 -9.73 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 73.1 110.866 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.68 20.19 75.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 73.41 112.473 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -81.56 148.24 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 75.41 110.88 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -63.06 123.23 18.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.43 110.932 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -140.88 107.64 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 71.24 111.19 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.0 m -60.64 114.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.161 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.12 133.32 9.21 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.651 0.739 . . . . 73.23 111.096 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 146.46 59.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.652 2.234 . . . . 72.34 112.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 41.9 mm -81.83 116.82 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.12 111.162 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -89.19 151.56 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 73.43 110.891 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 63.16 105.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 t -54.9 -28.18 48.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.164 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.92 -36.31 62.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.79 -46.73 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -33.0 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 72.14 111.116 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.85 -36.85 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 64.55 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -69.47 -46.72 66.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.873 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.48 -34.7 77.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.888 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -61.05 -44.22 97.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.886 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -71.93 -39.87 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 75.04 110.946 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 71.4 p -60.94 -46.52 90.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 71.04 111.117 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.37 -34.1 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 73.21 110.892 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -49.13 55.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.862 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.93 -29.47 70.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 62.52 110.883 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -64.47 -35.21 80.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.862 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -38.03 76.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.01 110.865 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.41 -48.03 77.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.869 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.2 -32.69 67.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 74.33 110.872 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -35.61 75.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 70.25 110.921 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -59.27 -48.89 79.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.874 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -55.8 -44.43 77.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 64.21 110.874 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.63 -50.6 73.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.921 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.1 mp -63.22 -33.53 75.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.909 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.8 mt -60.77 -35.74 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 74.12 111.131 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.7 t -73.64 -23.88 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.886 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 13.1 mtm -93.05 -2.45 55.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 75.54 110.868 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 64.25 48.55 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -111.71 161.39 16.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 72.05 110.965 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -97.91 159.4 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 75.34 111.093 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.53 135.76 55.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.929 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -155.81 160.12 31.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 71.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.4 14.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 74.3 112.369 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.52 139.25 53.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 75.12 110.847 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.59 -21.31 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 70.44 110.849 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -110.47 26.45 10.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 75.23 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -122.92 125.01 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.3 110.843 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -96.14 -68.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 73.51 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.97 103.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.851 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -174.25 68.41 0.31 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 65.31 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.38 45.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.268 . . . . 71.2 112.351 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.6 m -64.25 137.94 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 75.41 111.166 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -78.23 97.42 5.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.45 -30.63 63.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.922 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 m -104.41 65.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.23 110.89 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.131 179.869 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.819 0.342 . . . . 74.14 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.0 p -91.25 159.82 15.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 74.3 111.129 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.9 mt -70.14 153.86 94.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.708 . . . . 71.54 110.892 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -17.43 37.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 75.12 112.328 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -19.87 60.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 64.1 110.832 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.57 -1.26 30.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 65.4 112.482 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.21 149.48 36.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 74.5 110.849 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.98 10.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.664 2.242 . . . . 75.24 112.396 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -71.01 -56.83 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.3 110.94 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -54.2 -45.46 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 61.43 110.843 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -61.57 -34.56 75.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 72.22 110.853 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mp -73.23 -44.59 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 74.03 110.935 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mm -55.29 -44.57 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 73.33 111.144 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.927 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 mtpp -67.52 -51.06 55.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 74.52 110.89 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -59.08 -24.54 63.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.896 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.3 m -63.91 -22.47 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 71.13 111.123 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.91 -7.85 59.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 60.21 111.101 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.4 mt -104.52 4.02 32.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.912 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.39 -152.95 21.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.502 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.25 19.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 75.51 112.336 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -61.54 133.48 55.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.05 110.918 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -79.6 143.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 75.34 111.104 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -83.81 93.83 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.877 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -52.0 125.25 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.872 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.44 149.35 10.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 60.44 112.49 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -100.49 -43.35 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 75.32 110.919 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 88.3 m -105.71 -62.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.866 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -86.84 108.66 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.892 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -94.63 38.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.88 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -132.35 26.01 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.9 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -139.94 160.72 39.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.874 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -131.28 112.75 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.842 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -93.52 149.06 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 75.13 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -149.04 138.34 21.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 71.42 110.872 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.88 112.33 25.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 73.03 110.876 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.0 m -106.69 115.16 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 64.23 110.856 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -111.03 90.05 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.96 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.67 -46.24 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 71.41 111.101 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.9 t -135.64 131.24 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 63.42 111.143 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -90.61 129.67 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 60.44 110.898 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -81.23 -4.59 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.4 111.114 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 71.79 164.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 72.41 110.943 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.0 m -93.63 38.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.2 111.1 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -67.25 -58.45 8.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 71.31 110.909 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.3 Cg_endo -69.77 -167.38 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.284 . . . . 74.24 112.306 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.14 160.3 0.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 72.34 111.083 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.42 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.704 2.269 . . . . 73.32 112.333 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.19 -9.1 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 65.43 110.852 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -96.53 17.17 16.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.42 110.873 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -82.6 117.61 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.847 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -137.93 167.62 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 74.34 110.91 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -127.98 146.47 50.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -80.96 129.65 34.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 72.52 110.92 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.66 -138.68 2.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.757 . . . . 72.45 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.0 p-90 -170.6 109.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.689 0.28 . . . . 74.2 110.96 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -60.01 137.49 58.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 74.51 110.93 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -113.78 111.73 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 75.34 110.847 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -114.14 112.49 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 75.43 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -135.19 159.73 40.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -125.83 110.67 13.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.13 110.883 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.65 114.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 74.15 111.075 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -77.31 169.41 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 75.12 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -49.61 -47.14 49.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.886 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.82 41.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 70.42 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -164.35 -179.45 6.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.85 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.06 166.4 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 75.41 110.886 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 72.1 p -137.13 154.08 50.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.02 111.169 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -152.59 161.07 43.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.923 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.98 160.48 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 74.15 110.867 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -122.31 114.33 20.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.96 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.86 140.84 44.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 73.2 110.901 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -92.08 144.22 25.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 64.4 110.874 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.76 -154.07 13.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 64.43 112.478 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 tt -135.31 145.53 47.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 64.24 110.954 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -106.1 103.56 13.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 75.1 110.905 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -89.31 -177.45 5.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.87 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -81.08 -25.71 36.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 64.54 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -78.41 -9.65 59.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 65.11 110.89 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.95 18.84 74.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 62.4 112.514 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -97.45 155.52 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 74.31 110.895 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 46.0 p90 -84.63 128.02 34.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.894 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.3 m -144.93 113.15 6.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 74.5 111.171 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.5 m -69.83 117.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 72.53 111.119 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.8 m -137.1 156.9 75.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.609 0.718 . . . . 71.32 111.149 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.69 43.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 71.11 112.357 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.8 mm -92.66 147.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.23 111.163 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -57.99 -174.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.14 110.851 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -47.29 161.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -50.85 -31.28 16.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 74.24 111.12 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -33.99 52.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.902 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.77 -45.24 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 73.24 111.119 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -33.18 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 63.1 111.136 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -62.2 -37.43 85.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 64.2 110.876 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -68.51 -35.43 77.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.901 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.55 -35.64 73.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.938 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -69.43 -40.06 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.89 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.8 -36.45 70.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 74.3 110.931 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.6 p -64.97 -46.46 81.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 75.21 111.142 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -33.98 76.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.1 110.921 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.53 -44.08 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.913 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.21 -29.49 64.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.898 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -64.99 -36.24 83.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.44 110.933 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -69.96 -32.8 71.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 75.2 110.853 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.13 -48.11 46.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 63.35 110.848 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -62.55 -32.28 73.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.887 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -37.06 76.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 72.33 110.928 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -54.67 -46.07 73.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -56.22 -46.42 79.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.85 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.2 tp -58.64 -51.34 70.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 73.01 110.857 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 mp -61.84 -30.98 71.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.943 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.1 mt -68.02 -30.08 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 74.42 111.123 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.3 t -74.27 -23.38 59.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 64.5 110.845 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.71 1.89 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 71.45 110.871 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 58.53 43.05 19.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.892 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.42 125.49 49.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.906 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.04 134.64 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.1 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.3 pp -116.92 140.62 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.942 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -147.24 159.88 41.08 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 73.34 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.01 15.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 72.21 112.366 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.37 130.27 40.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.904 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -58.86 -22.04 58.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 71.41 110.869 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -95.77 26.2 4.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -130.34 128.51 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.876 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -81.28 -179.6 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 71.15 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -92.59 132.74 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -153.99 73.07 6.43 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 74.44 110.874 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.82 68.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 74.5 112.311 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.5 m -113.43 146.88 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.117 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.19 97.49 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.885 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.6 -36.24 65.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 74.3 110.929 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 t -97.27 61.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 73.14 110.879 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.12 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ptp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 73.34 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.8 p -76.88 159.54 29.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 61.04 111.167 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.65 153.74 92.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 63.4 110.959 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -17.38 37.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 63.34 112.323 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.57 -18.85 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.24 110.86 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.57 1.15 30.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 73.22 112.497 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.6 151.77 39.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 75.44 110.837 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 124.9 11.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.677 2.251 . . . . 74.42 112.333 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -69.73 -47.28 63.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.91 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.6 p -57.57 -43.3 84.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -39.84 93.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 73.44 110.868 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.24 -49.08 73.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.904 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mm -61.52 -44.01 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.32 111.14 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -67.84 -39.74 83.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 73.33 110.89 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -65.5 -50.14 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.875 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -59.01 -30.54 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.885 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.9 m -58.79 -21.57 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 72.34 111.17 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.71 -7.0 58.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.11 111.063 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.5 mt -104.0 -5.27 22.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 70.44 110.925 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.46 -151.11 11.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 72.33 112.468 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.02 19.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 73.12 112.318 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -61.87 132.28 52.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 71.21 110.941 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -78.08 143.28 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.139 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -81.86 94.84 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.901 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.26 162.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.864 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.21 -174.11 22.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 53.0 112.48 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -119.69 44.99 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 75.4 110.973 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.6 m 58.28 41.36 23.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -111.91 -37.55 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.882 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -135.35 156.31 49.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.846 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -102.04 26.15 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 74.53 110.89 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -110.3 160.88 16.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.31 110.86 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -108.52 137.79 45.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.863 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -97.88 148.95 22.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 61.54 110.876 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -149.59 146.78 27.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.911 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.54 112.73 24.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 72.31 110.901 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.51 101.07 10.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 65.34 110.906 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.5 mt -111.02 120.06 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.922 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.04 -50.56 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 63.11 111.123 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -147.06 143.33 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.24 111.143 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -75.74 135.14 40.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.07 -51.3 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 72.15 111.063 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -173.36 162.25 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.914 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.2 p -127.77 0.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 73.51 111.116 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.517 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.2 mtpp -51.16 -58.11 11.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.539 0.685 . . . . 74.53 110.892 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.2 Cg_endo -69.85 177.92 5.15 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.666 2.244 . . . . 74.42 112.311 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.67 159.94 1.17 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 63.32 111.127 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -23.8 30.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 73.03 112.284 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.03 -25.76 40.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.889 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -96.81 17.12 17.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 73.4 110.888 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -75.01 153.25 38.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -137.08 156.8 47.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.87 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.28 166.85 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 73.51 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -103.73 159.84 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.97 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.43 -174.39 40.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 64.54 112.47 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -135.25 125.42 26.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.754 0.312 . . . . 74.41 110.902 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -68.95 135.94 51.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.925 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -115.92 112.66 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 75.22 110.869 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -113.66 123.73 50.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 71.01 110.871 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.78 146.64 50.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 74.41 110.902 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -125.45 111.46 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.917 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.8 112.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 63.31 111.06 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.16 174.43 10.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.944 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -48.97 -48.49 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.861 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.71 21.02 1.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 73.33 110.899 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -142.35 -179.56 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 74.44 110.904 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.75 144.62 43.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.949 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -141.27 139.94 33.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 73.45 111.139 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -127.19 171.75 11.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.951 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -144.04 160.61 40.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.34 110.874 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -128.5 123.92 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 72.0 110.948 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -135.64 138.06 42.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.945 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -91.74 151.5 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.923 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.9 -158.87 31.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 74.55 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.66 129.78 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 71.54 110.911 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -105.95 95.27 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 64.12 110.918 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 172.88 9.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.825 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -81.4 -20.59 40.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.902 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.12 -9.69 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 71.1 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.69 18.54 79.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 72.41 112.501 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -77.18 157.2 31.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 75.42 110.892 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -100.26 121.61 41.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.0 m -145.77 116.13 7.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.03 111.179 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.2 m -91.64 120.82 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 71.45 111.139 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.9 m -143.17 133.1 11.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.669 0.747 . . . . 72.45 111.073 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 137.37 35.4 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.676 2.251 . . . . 75.12 112.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 mt -97.63 112.41 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.53 111.109 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -99.07 89.99 4.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.24 102.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 54.32 110.86 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 t -52.55 -28.16 19.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.1 111.149 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.73 -42.44 86.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -79.45 -32.04 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 74.24 111.134 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -33.46 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 72.22 111.116 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.3 -33.79 71.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 71.32 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -71.36 -43.63 66.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.834 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.86 -41.59 95.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.953 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.89 -40.46 79.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.14 110.864 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -71.6 -36.35 70.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 75.15 110.918 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.2 p -66.12 -46.91 75.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.157 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.42 -34.35 77.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.881 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -44.41 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.888 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.94 -28.94 62.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.84 -35.3 70.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.14 110.853 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -70.28 -32.35 70.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.42 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.48 -48.33 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.91 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.74 -31.9 70.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 74.53 110.913 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -35.48 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.3 110.851 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -54.39 -50.63 67.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 74.45 110.87 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -56.09 -46.62 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 51.33 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.1 tp -59.63 -51.06 71.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.91 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.38 -32.07 72.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 74.22 110.924 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.3 mt -68.49 -29.85 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.13 111.122 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.9 t -73.45 -24.65 60.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.841 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 10.4 ptp -103.58 -0.8 29.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.879 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 63.82 34.96 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 72.21 110.875 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -102.31 128.3 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 73.42 110.905 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.39 159.63 19.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 73.0 111.09 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 17.7 mt -99.71 143.06 30.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.25 110.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -152.57 160.26 31.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 75.23 110.887 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 170.76 15.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 74.51 112.336 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m -112.26 -175.29 2.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.67 -23.55 39.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.66 26.38 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 75.42 110.867 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -91.11 108.58 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.902 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -99.65 -171.39 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 75.54 110.868 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -97.18 -176.18 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 72.43 110.868 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 54.07 68.28 2.89 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.57 0.7 . . . . 74.4 110.888 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.79 55.72 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 73.31 112.334 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.27 127.19 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 70.24 111.181 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -66.99 97.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.902 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.8 mt -73.55 -29.6 62.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.963 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -99.37 44.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 72.04 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 73.3 111.1 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 75.22 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.7 p -80.93 159.7 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 74.44 111.122 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.98 153.91 95.6 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.592 0.71 . . . . 64.24 110.915 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -18.04 37.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 53.21 112.353 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -19.74 60.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 60.4 110.841 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.53 -1.44 30.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 63.32 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.06 150.37 38.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 73.02 110.855 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 124.11 10.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 73.04 112.361 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -71.11 -57.19 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.873 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 m -54.07 -45.17 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 75.4 110.863 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -61.64 -35.53 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.02 110.864 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mp -73.72 -40.87 63.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 63.32 110.904 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.4 mm -55.03 -47.76 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 73.13 111.147 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.74 -33.69 75.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.15 110.867 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -65.32 -53.45 43.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.915 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -59.05 -27.03 65.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.875 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.1 m -59.54 -21.64 60.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 72.52 111.159 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.29 -7.55 59.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.34 111.104 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.7 mt -104.4 4.2 33.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.936 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.56 -151.5 19.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 71.34 112.455 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.42 19.01 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.724 2.283 . . . . 73.44 112.316 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.12 134.24 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.919 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mp -82.75 145.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 73.21 111.168 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -83.86 93.5 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 75.43 110.872 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -91.1 -176.83 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.901 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.17 174.27 46.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 74.01 112.485 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -113.85 36.89 3.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.327 . . . . 72.33 110.917 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.6 m -95.52 -176.5 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 63.4 110.896 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -52.57 168.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.894 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -52.58 126.75 20.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.883 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -146.36 176.95 9.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -105.62 151.45 24.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.865 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -59.31 153.34 19.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -133.94 145.68 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.881 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -139.12 116.41 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.834 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -107.78 109.01 20.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 73.11 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -110.13 154.45 23.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 64.41 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 mt -111.63 89.49 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.925 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.53 -72.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.09 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 t -145.73 150.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 63.12 111.154 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.6 p -82.07 143.0 31.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 71.42 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -59.09 -45.44 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 73.32 111.137 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -178.58 174.63 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 70.44 110.838 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 m -120.1 16.0 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 64.23 111.109 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.518 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -66.96 -58.45 9.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 73.44 110.913 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.3 Cg_endo -69.81 -173.59 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 75.23 112.305 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.57 160.09 80.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 74.34 111.12 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -23.99 30.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 75.45 112.347 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.59 -25.42 49.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.91 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -104.71 -14.05 15.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.865 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.72 137.18 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.851 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -113.42 156.54 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.853 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -134.21 150.08 51.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 75.01 110.871 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -80.42 135.03 36.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.961 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.99 178.23 17.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 61.52 112.466 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -62.22 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 73.14 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 64.37 82.66 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 64.51 110.944 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 tmm? -122.99 117.34 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 72.44 110.859 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -110.28 119.57 39.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 73.24 110.899 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -134.31 159.07 42.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.943 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -130.94 111.4 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.51 134.21 40.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 72.02 111.1 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -98.96 -177.79 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 75.13 110.955 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.09 -51.0 57.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 64.1 110.87 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 26.87 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 74.04 110.856 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -144.24 172.11 13.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 74.15 110.899 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.33 151.65 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 64.24 110.901 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.5 t -124.78 156.47 37.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 65.23 111.155 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -150.32 149.3 29.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.891 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -140.97 160.06 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 74.34 110.876 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.1 104.71 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.919 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -135.19 146.78 49.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 73.03 110.909 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -115.08 138.43 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.878 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.24 172.98 20.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.688 -0.768 . . . . 73.53 112.462 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tt -145.59 145.96 31.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 73.44 110.929 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -96.85 119.58 35.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.35 110.91 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -97.98 -175.98 3.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -58.05 -22.85 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 71.4 110.927 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -106.48 -10.61 16.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 64.11 110.867 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.09 9.01 59.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 73.42 112.526 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 155.38 32.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 74.11 110.889 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -52.7 121.79 7.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.945 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -141.18 106.38 5.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.106 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.7 m -68.42 115.99 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.139 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.05 133.38 9.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 74.23 111.121 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 142.61 48.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 65.43 112.32 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.0 mm -70.78 114.99 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 75.42 111.143 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -84.57 156.09 21.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 73.33 110.914 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 63.42 105.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.914 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -53.8 -29.33 40.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.24 111.138 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -56.59 -39.09 72.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.888 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.0 t -78.93 -43.87 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 73.04 111.166 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -33.31 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 75.24 111.112 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -62.46 -31.5 72.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.899 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -74.51 -36.59 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.5 110.869 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.8 -42.68 69.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.916 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.43 -40.16 89.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.887 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -70.82 -38.49 73.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.982 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.2 p -66.13 -25.33 66.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 71.21 111.094 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -74.13 -34.87 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.928 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.424 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -72.8 -49.69 28.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.879 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -58.67 -29.34 66.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -71.99 -38.87 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.874 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -56.9 -32.72 66.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 72.34 110.848 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.58 -47.74 45.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.857 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -67.3 -32.54 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.886 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -37.83 88.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.905 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -54.81 -45.67 74.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.99 -46.79 78.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.884 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.0 tp -59.42 -50.85 72.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.882 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.92 -30.93 71.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 74.13 110.921 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 18.5 mt -68.18 -30.41 47.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 72.52 111.127 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -22.43 59.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 73.41 110.874 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.93 -0.19 19.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.865 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 59.41 44.87 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.06 132.77 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 75.21 110.91 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.85 159.94 30.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.15 111.128 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -100.65 143.16 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 62.32 110.897 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -127.73 153.61 77.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.644 0.735 . . . . 72.31 110.886 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.15 14.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.727 2.284 . . . . 74.32 112.331 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 t -88.64 136.56 32.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.916 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -56.61 -24.91 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 72.33 110.89 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -103.32 25.87 9.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 65.14 110.897 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -91.5 118.62 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.897 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -121.97 41.87 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.859 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 55.42 42.23 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.866 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -150.13 72.75 9.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.67 0.748 . . . . 74.51 110.903 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.28 62.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.234 . . . . 75.11 112.349 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 31.1 m -61.05 133.63 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.129 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 111.15 22.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.02 110.927 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.61 -35.05 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 72.14 110.936 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.3 m -76.97 64.62 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 71.51 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 61.22 111.108 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.89 0.376 . . . . 74.34 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -81.01 159.81 24.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 75.14 111.122 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.39 153.86 95.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.721 . . . . 73.24 110.945 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -18.62 37.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 74.12 112.337 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -19.16 59.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 61.34 110.862 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.47 -0.48 30.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 70.45 112.531 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 153.64 40.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.572 0.701 . . . . 71.23 110.88 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 124.76 11.4 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 73.15 112.312 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -69.78 -51.51 33.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.902 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -54.81 -44.81 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.847 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -62.13 -41.88 98.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 75.21 110.862 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.83 -41.98 96.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.895 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.83 -48.27 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 74.12 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -65.03 -37.2 86.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.922 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -66.82 -52.11 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.882 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -58.96 -28.83 66.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.863 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.8 m -58.89 -21.73 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.142 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.76 -7.16 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 60.1 111.073 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.4 mt -102.65 4.13 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.54 110.926 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.99 -148.05 14.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 54.33 112.49 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.14 19.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 73.22 112.324 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -61.63 125.07 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.957 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.8 mp -72.29 141.0 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.42 111.091 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 93.73 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.884 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -95.62 177.19 5.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.892 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.71 97.9 0.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 74.25 112.472 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -152.16 141.16 21.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 71.52 110.893 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.8 t -52.25 -31.7 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.866 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -139.37 51.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 65.54 110.879 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.2 95.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 62.03 110.843 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -112.89 -27.8 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 64.21 110.83 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -125.22 160.98 27.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -113.03 110.74 20.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 75.11 110.932 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -102.86 132.18 49.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.904 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -118.68 124.96 48.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.886 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.28 112.05 24.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.843 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -107.23 146.23 31.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.909 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 mt -92.06 116.56 29.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 70.22 110.872 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.03 -68.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 62.33 111.13 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -144.16 146.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.8 m -68.77 156.65 37.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 63.01 110.871 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.11 -23.77 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.111 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.7 t30 64.85 96.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.896 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.4 t -141.37 168.72 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 71.24 111.148 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.516 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 12.3 mtmt -48.12 -57.85 9.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 75.34 110.927 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.5 Cg_endo -69.8 152.37 69.06 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 64.23 112.306 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.47 159.87 1.1 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 73.02 111.14 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -23.69 30.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 74.42 112.321 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -63.16 -23.2 67.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.877 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -106.42 1.15 25.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 72.13 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -121.57 159.95 25.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 71.23 110.855 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -86.38 166.98 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.842 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -120.45 167.39 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.9 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -80.91 142.39 33.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.949 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.94 119.62 0.64 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.501 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -76.65 147.1 37.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 75.51 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -118.48 116.9 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.8 tmm? -103.67 112.72 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 72.32 110.879 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.92 119.89 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.876 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.83 159.19 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 72.53 110.921 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -131.15 112.46 12.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.878 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.69 116.83 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.087 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -77.38 -178.58 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 73.03 110.912 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -50.17 -54.89 17.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.4 12.76 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.32 110.892 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -137.49 -179.49 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.51 110.899 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -130.98 147.45 52.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 75.2 110.85 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t -122.16 146.58 47.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.11 111.124 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -135.33 161.08 36.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 65.43 110.904 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -152.68 160.71 43.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 73.02 110.873 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -111.16 110.93 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 63.3 110.936 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -135.89 124.9 24.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.913 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -92.0 165.88 12.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.884 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 174.32 -147.73 9.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 63.2 112.512 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 tt -133.12 146.07 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 74.5 110.934 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -103.99 110.15 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 64.54 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -95.18 -176.84 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 71.44 110.889 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -23.16 47.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 74.52 110.915 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.9 -9.94 59.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 74.15 110.929 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.34 21.59 75.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 73.33 112.449 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -94.92 159.35 15.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 74.32 110.855 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -88.3 131.76 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.66 131.83 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 71.05 111.128 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.9 m -69.79 119.77 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.106 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 t -143.82 133.06 11.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 73.23 111.112 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 141.1 44.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 74.43 112.346 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 25.5 mm -88.62 153.61 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 75.35 111.114 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -172.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.03 168.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.901 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 t -51.0 -27.83 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.15 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.59 -42.92 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.45 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -80.76 -48.37 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.118 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -33.49 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.125 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.26 -36.29 77.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -73.23 -31.45 64.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 75.41 110.882 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.1 mt -70.79 -34.7 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.95 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -65.13 -34.28 78.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.917 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -71.73 -41.39 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 74.4 110.922 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -46.64 89.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 75.12 111.129 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -34.12 77.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 74.05 110.919 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -43.6 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.11 110.9 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.47 -29.38 64.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 73.01 110.883 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -71.4 -39.63 71.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 74.2 110.854 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -70.76 -32.57 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.886 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.48 -48.52 74.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -69.54 -31.82 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 72.4 110.901 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -35.53 73.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.922 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -46.76 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 74.01 110.839 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.07 -45.93 79.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 64.04 110.884 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.85 -49.97 75.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 71.42 110.901 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.2 mt -64.24 -37.38 87.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.911 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 25.9 mt -60.73 -38.73 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.42 111.127 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -21.08 60.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 63.11 110.842 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 5.9 mtm -94.54 -7.75 40.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.34 110.893 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 58.34 42.9 20.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.837 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.2 173.76 6.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.935 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.45 141.46 29.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.02 111.073 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 32.8 tp -129.52 112.58 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 75.2 110.876 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -127.16 157.29 72.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 72.14 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 171.37 14.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 65.24 112.305 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.2 t -76.74 136.9 39.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.87 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -58.74 -22.18 57.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.879 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -97.13 25.99 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -116.21 107.71 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -101.53 -73.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 72.45 110.873 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -162.28 110.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -174.8 71.34 0.3 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.72 . . . . 74.4 110.9 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 152.54 69.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 72.44 112.407 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 18.7 m -104.09 131.31 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 65.14 111.123 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -79.93 97.49 6.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 72.15 110.859 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.64 -30.94 63.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.892 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.8 m -102.14 49.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 62.04 110.864 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 74.43 111.152 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.85 0.357 . . . . 74.02 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.4 p -128.6 160.69 31.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 73.53 111.15 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mt -64.39 153.76 85.53 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.597 0.713 . . . . 73.11 110.949 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -17.16 37.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 72.52 112.38 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -77.51 -19.18 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 63.2 110.854 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.69 3.37 30.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.793 -0.718 . . . . 72.3 112.504 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.66 144.37 27.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 71.25 110.853 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 124.55 11.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 73.05 112.365 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -70.86 -54.46 11.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.895 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 m -54.33 -45.13 72.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 61.44 110.915 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -61.73 -35.07 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 75.32 110.885 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mp -70.39 -43.89 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.931 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mm -55.59 -42.99 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.01 111.138 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -67.7 -43.63 79.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.935 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -62.51 -47.18 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.4 110.936 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.05 -29.94 67.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 65.33 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 m -65.06 -21.4 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 64.21 111.147 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.78 -7.59 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.4 111.125 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.67 4.33 32.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.52 110.854 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . 162.99 -145.7 10.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 64.25 112.453 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 53.5 Cg_endo -69.77 167.4 24.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 73.12 112.355 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -62.69 145.92 53.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 64.34 110.933 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mp -94.84 143.4 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 74.44 111.131 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -71.9 93.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 74.3 110.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -100.32 111.57 23.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 73.21 110.912 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.23 -178.66 15.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.722 . . . . 62.32 112.458 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -66.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 74.31 110.886 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.3 p -124.88 -41.01 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.55 110.867 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.88 124.07 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.904 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -166.26 135.76 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 75.2 110.881 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -113.57 -70.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 73.15 110.849 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -112.0 161.05 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.859 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -79.74 132.85 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.21 110.882 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -93.19 149.29 21.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.54 110.858 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -150.39 116.48 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.845 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -107.2 112.39 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 70.21 110.848 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.9 t -106.77 144.04 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.868 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.2 mt -110.98 132.12 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.897 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.65 -55.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 74.52 111.094 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -149.21 146.31 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 11.5 t -89.49 108.49 19.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 62.22 110.918 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -81.69 -22.26 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 62.51 111.086 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -113.88 94.56 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 71.4 110.917 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.62 -32.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.153 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 3.7 mtpm? -50.35 -57.95 11.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 74.42 110.933 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.9 Cg_endo -69.77 -170.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 73.4 112.358 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.01 159.53 82.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.564 0.697 . . . . 72.04 111.094 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -23.34 30.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 74.15 112.349 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.39 -21.22 65.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.57 17.42 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 61.14 110.902 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -57.81 153.4 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 74.4 110.827 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -137.03 144.41 43.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.942 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -124.06 152.78 42.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.858 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -87.62 128.33 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 74.41 110.933 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.34 163.62 32.55 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 51.42 112.527 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -114.07 117.25 30.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 75.14 110.866 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -57.94 154.7 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.938 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.5 ttt -139.05 112.45 8.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.852 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -113.48 113.24 24.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 pp -134.64 159.46 41.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 75.31 110.9 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -137.85 112.25 8.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.939 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.09 115.01 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.23 111.116 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.6 -178.28 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 73.53 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.67 -64.72 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.842 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.73 41.46 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.854 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -169.46 -179.5 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.893 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -137.92 164.25 29.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 61.1 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.8 t -141.41 164.32 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 75.22 111.111 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -150.85 143.77 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.925 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -119.47 158.4 26.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.871 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -121.49 107.98 13.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.909 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -135.83 131.4 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 73.03 110.881 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -91.91 152.21 20.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.904 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.08 -136.82 2.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.771 -0.728 . . . . 74.25 112.491 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 tt -145.21 143.45 30.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 75.55 110.932 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -100.19 117.11 33.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.872 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.47 -175.86 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -80.58 -29.49 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 71.22 110.914 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.97 -8.26 17.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.901 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.69 19.72 26.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 74.52 112.515 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -70.42 124.7 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 72.2 110.902 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -76.64 121.21 22.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 71.53 110.894 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.0 m -145.87 109.28 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 72.54 111.165 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.5 m -66.11 114.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 73.55 111.084 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.4 m -129.97 152.52 80.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.656 0.741 . . . . 75.35 111.133 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.13 53.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.701 2.267 . . . . 72.43 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -97.18 114.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 72.3 111.091 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -96.73 149.21 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.867 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 64.02 107.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 t -56.49 -28.09 58.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 71.55 111.17 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -53.37 -34.99 59.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.869 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.0 t -81.04 -33.46 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.42 111.139 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -34.47 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.43 111.088 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -27.28 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 65.1 110.864 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -69.48 -38.3 77.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 75.43 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.57 -35.3 73.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.35 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.51 -43.59 79.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.865 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -72.12 -41.89 66.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.907 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 61.9 p -61.29 -47.1 87.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 73.22 111.122 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.7 -34.78 72.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.939 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.2 -45.92 72.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 73.1 110.849 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.92 -29.04 62.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.936 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -57.81 -35.84 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.867 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -70.07 -32.48 70.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.849 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.36 -48.23 82.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 62.04 110.887 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -73.16 -32.13 64.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.41 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.67 -35.64 76.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.953 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -61.84 -42.4 98.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.42 110.833 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -55.87 -46.57 78.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.871 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 57.9 tp -59.98 -50.4 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.75 -32.71 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.952 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.9 mt -66.72 -36.35 77.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 72.34 111.124 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -73.24 -25.12 60.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 61.31 110.842 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.9 mtm -93.77 -8.41 40.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 72.4 110.876 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 64.6 42.51 4.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.871 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.48 135.55 46.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.897 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.94 156.23 25.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 71.4 111.103 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 28.4 tp -129.15 140.39 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.886 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.24 157.88 31.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 74.1 110.886 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 171.15 14.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 74.14 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 p -73.64 153.71 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 70.22 110.854 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.4 -22.21 64.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 64.41 110.834 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -95.82 26.18 4.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 65.3 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -106.19 107.56 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.923 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -110.8 -74.38 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.915 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -154.78 -179.15 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 75.23 110.896 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.16 68.36 1.87 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 62.1 110.916 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.87 55.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 74.51 112.348 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.7 p -55.73 123.16 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 71.24 111.108 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -67.54 97.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 72.32 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.9 mt -73.7 -26.54 60.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.934 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -92.45 52.08 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.851 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 65.13 111.068 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mmm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.808 0.337 . . . . 75.23 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.8 p -76.87 159.91 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.33 111.159 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mt -70.77 154.23 94.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 75.34 110.915 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -18.77 36.96 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.669 2.246 . . . . 65.44 112.343 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -74.72 -19.36 60.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.86 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.33 0.85 31.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 74.1 112.484 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.87 149.6 37.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.721 . . . . 72.42 110.867 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 125.13 11.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 71.11 112.341 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -49.55 57.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.912 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -55.23 -32.8 62.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 70.2 110.837 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.43 -46.45 22.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.886 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.41 -47.05 85.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 73.43 110.882 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mm -59.03 -44.84 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 65.34 111.11 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -41.25 83.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.921 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 mttm -64.52 -49.8 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.859 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -58.97 -29.63 67.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 73.14 110.859 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -61.76 -21.73 64.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 72.25 111.171 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.02 -8.15 59.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 53.41 111.169 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -105.05 3.7 30.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.909 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.1 -151.14 17.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 73.53 112.462 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.5 21.37 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.273 . . . . 72.53 112.325 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -62.39 124.05 19.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.896 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mp -74.99 134.76 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 73.31 111.15 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -80.39 93.6 6.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 73.45 110.856 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 165.97 24.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.869 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.89 -163.24 31.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 73.32 112.474 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -128.69 80.64 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 74.1 110.901 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.1 m 56.02 28.51 12.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.872 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -118.6 137.06 53.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.34 110.894 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -67.22 121.51 15.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.843 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -173.49 176.89 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.885 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -98.1 154.67 17.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 75.22 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -61.43 156.42 19.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.913 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -113.9 126.6 55.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.35 110.856 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -128.29 120.79 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 74.42 110.843 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -106.96 111.87 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.04 110.828 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -107.15 127.37 53.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.856 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.6 mt -110.96 105.49 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 72.3 110.97 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.18 -55.45 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.24 111.123 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.05 149.8 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.077 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.75 134.41 34.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.6 p -81.39 -27.35 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 71.34 111.185 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -174.78 119.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.879 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.1 t -125.89 -1.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.22 111.081 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.638 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 18.9 mttt -65.99 -51.74 44.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 74.31 110.905 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.5 Cg_endo -69.81 179.13 3.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 61.11 112.346 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.46 159.97 1.08 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.69 . . . . 74.13 111.141 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -24.0 30.31 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.688 2.258 . . . . 75.12 112.39 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -63.68 -25.6 68.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 72.42 110.908 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -111.68 17.05 20.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.909 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -88.35 128.7 35.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.03 110.832 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -137.06 163.66 30.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 73.5 110.878 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -131.0 166.25 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 65.12 110.905 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -90.62 159.63 16.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.941 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.8 151.1 6.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 72.13 112.463 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 -103.38 120.13 40.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.744 0.307 . . . . 74.14 110.978 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 22.3 m0 -54.44 134.55 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 75.31 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.61 112.1 18.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.03 110.909 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.02 124.25 51.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 73.22 110.902 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.56 148.42 50.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.916 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -137.93 114.97 10.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 75.02 110.865 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.37 113.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.078 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.402 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 1.8 mm100 -77.62 -174.4 3.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.912 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 1.9 tt0 -51.32 -57.85 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -138.6 26.88 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.886 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -152.02 -179.57 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.886 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -127.18 151.52 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.879 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -141.69 138.47 32.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 62.22 111.114 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -126.18 171.22 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.01 110.885 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -142.38 144.36 33.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 74.21 110.896 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -113.9 110.7 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.939 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -129.22 143.83 51.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -91.73 138.62 31.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.05 110.852 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.74 -142.08 3.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 65.24 112.483 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 tp -145.52 145.83 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 73.24 110.897 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -121.81 110.65 16.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.42 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.56 169.98 9.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 60.25 110.912 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -81.5 -29.27 33.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 73.52 110.877 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -84.2 -9.79 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.41 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.09 18.16 72.73 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.711 . . . . 54.43 112.487 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -86.53 121.39 29.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 73.42 110.907 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -66.23 122.56 17.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.921 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -136.97 106.34 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 74.2 111.154 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.9 m -67.45 119.14 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.5 111.125 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.28 133.87 9.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 64.35 111.151 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.4 42.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.27 . . . . 75.22 112.342 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.2 mm -64.85 148.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.5 111.176 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.05 -173.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.914 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -49.86 168.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.877 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.0 t -50.7 -29.35 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 61.5 111.182 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.15 -41.46 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.887 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.3 t -81.46 -31.86 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 74.33 111.113 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -34.75 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.191 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.26 -27.65 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.24 110.934 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -69.96 -45.25 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 74.25 110.866 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.77 -35.2 72.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.954 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -56.95 -33.89 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -68.99 -47.94 64.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.894 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.4 p -63.18 -35.57 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 73.42 111.136 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.89 -44.2 86.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.95 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -69.06 -45.33 70.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 71.31 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -62.64 -29.44 70.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 75.42 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -41.61 91.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -70.38 -32.64 70.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.19 -48.23 44.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 65.32 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -62.44 -32.13 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 72.25 110.888 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.48 75.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 75.54 110.907 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -46.96 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.91 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -55.72 -46.88 77.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 55.41 110.915 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.54 -51.87 66.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.886 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.46 -32.48 70.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.906 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.0 mt -63.28 -30.15 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 74.44 111.155 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.6 t -69.54 -30.19 67.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 72.5 110.877 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.22 -5.84 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.897 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 63.7 48.64 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 74.1 110.869 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.95 173.93 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.89 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -104.19 144.71 31.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 62.15 111.091 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 17.2 tp -129.74 117.33 20.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 75.22 110.897 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -147.45 159.97 40.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.674 0.75 . . . . 71.15 110.867 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.4 14.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 71.14 112.369 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.7 p -73.36 133.13 43.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 73.11 110.866 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -62.76 -17.02 60.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 62.52 110.894 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -91.98 13.89 17.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.922 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -94.81 130.87 41.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.91 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -99.14 -175.03 2.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -70.78 -173.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.04 110.869 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 63.09 70.54 0.73 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.651 0.739 . . . . 74.42 110.915 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.99 55.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 64.25 112.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.9 p -54.18 128.91 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 72.41 111.121 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -79.1 97.84 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 72.34 110.886 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.64 -26.03 60.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 75.45 110.935 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.0 m -103.92 52.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 71.02 110.879 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 71.4 111.091 179.904 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.83 0.348 . . . . 74.33 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.5 p -136.9 154.28 50.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 64.3 111.114 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.74 155.02 85.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.585 0.707 . . . . 74.15 110.902 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -17.44 37.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.242 . . . . 73.55 112.336 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -75.57 -20.99 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.884 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.29 3.2 31.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 52.42 112.516 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 149.16 36.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 71.34 110.864 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 124.78 11.41 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 75.31 112.34 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -70.06 -52.2 25.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.884 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 p -54.18 -44.2 71.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 70.23 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -61.72 -45.7 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.865 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -58.01 -41.95 84.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 64.4 110.916 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mm -59.89 -45.63 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.23 111.13 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -68.03 -39.0 83.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.877 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -64.96 -51.0 64.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.878 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -59.1 -30.2 67.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 74.43 110.903 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.1 m -59.77 -21.94 61.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.148 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.94 -7.41 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.12 111.127 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.3 mt -104.61 4.46 32.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.923 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.99 -152.16 17.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 63.31 112.493 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 169.16 19.6 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.71 2.273 . . . . 75.52 112.346 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -61.78 125.59 24.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 75.41 110.931 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mp -77.97 143.14 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.112 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -85.41 127.69 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 73.45 110.831 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.37 -61.29 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.873 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.75 174.11 32.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 72.44 112.478 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -110.56 -28.04 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 73.33 110.918 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 m -70.54 151.43 45.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 62.03 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -119.27 159.98 23.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.889 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 52.26 61.99 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 73.03 110.86 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -141.37 -178.15 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.864 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -98.05 141.78 30.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 74.24 110.899 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -57.32 148.48 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 54.33 110.876 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -144.13 128.48 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.22 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.72 156.15 32.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.21 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.74 111.61 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 75.15 110.874 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.8 m -107.56 82.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -84.5 134.74 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 73.52 110.895 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.58 -50.3 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.03 111.108 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -142.12 148.52 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.32 111.083 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -89.32 154.11 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 71.32 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.1 m -80.53 -30.69 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 74.11 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -178.6 154.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.7 p -128.55 1.89 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 75.4 111.138 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.517 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.6 mtmp? -51.52 -58.28 11.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 75.54 110.906 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.4 Cg_endo -69.78 -172.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.229 . . . . 70.45 112.331 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.65 160.05 1.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 64.54 111.101 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -48.5 0.71 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.706 2.27 . . . . 73.21 112.339 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -80.24 -1.44 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.911 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -107.95 17.1 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 65.34 110.896 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -110.73 158.38 18.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.848 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -113.42 166.95 11.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.858 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -143.29 148.56 36.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 74.22 110.88 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -80.87 159.9 24.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 74.15 110.926 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.74 160.41 9.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.43 112.5 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 10.9 p-90 -125.33 133.52 52.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 75.54 110.898 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -83.37 173.19 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 74.33 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.22 111.4 12.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.884 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.28 129.46 56.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.892 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.45 159.69 41.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 63.42 110.94 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -128.65 111.18 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.893 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.14 112.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 74.45 111.064 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -78.05 -176.65 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.898 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.52 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.86 41.72 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.921 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -168.43 -179.76 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.861 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -130.67 152.69 49.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.929 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.4 t -134.73 142.18 46.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 73.11 111.149 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -133.57 172.23 13.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.926 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -152.97 160.61 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 74.22 110.842 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -119.15 110.83 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.41 110.92 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -136.12 132.67 36.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.45 110.934 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -91.76 164.86 13.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 63.43 110.888 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.74 -162.82 34.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 71.25 112.506 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 tt -145.33 145.7 31.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 73.25 110.891 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -94.67 121.24 36.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.12 110.856 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.71 169.98 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.4 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -81.0 -25.35 37.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.908 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -78.41 -9.76 59.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.928 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.08 18.5 79.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 73.22 112.476 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -103.23 139.27 38.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 75.33 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -51.96 121.81 7.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.41 110.912 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 m -145.61 106.29 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.164 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 17.3 m -93.82 120.7 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 73.43 111.108 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -128.56 157.82 73.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.608 0.718 . . . . 74.05 111.135 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.31 56.66 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.738 2.292 . . . . 74.43 112.342 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.0 mm -87.32 116.23 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 72.23 111.155 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -89.24 149.85 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.835 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.1 113.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -52.09 -31.85 32.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 73.41 111.119 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.48 -36.03 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.881 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.4 t -79.96 -32.91 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 74.41 111.169 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -34.63 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 72.2 111.109 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.41 -29.06 64.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 71.15 110.864 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -73.53 -39.88 64.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.12 -41.8 76.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.3 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -66.52 -36.92 83.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.891 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -60.54 -50.4 73.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.947 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -39.49 63.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 64.13 111.157 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -51.33 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 75.02 110.939 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -60.52 -39.34 87.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 73.22 110.859 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.95 -28.8 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.891 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -48.27 80.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.863 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -40.69 70.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.862 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -72.04 -47.22 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.92 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -32.58 72.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.879 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -35.8 72.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.921 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -45.55 72.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.876 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.03 -46.04 78.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 64.25 110.87 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.0 tp -58.84 -50.63 73.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.924 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.54 -37.68 88.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.88 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 25.2 mt -60.72 -38.78 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.099 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -73.82 -20.51 60.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 72.12 110.874 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 6.4 mtm -96.84 -8.11 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 73.21 110.855 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.93 38.77 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 73.33 110.908 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -103.28 135.99 43.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 74.44 110.909 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.87 136.11 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 64.33 111.093 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.0 tp -129.62 143.06 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.957 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -155.44 160.05 31.18 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.739 . . . . 63.31 110.867 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 171.34 14.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 74.42 112.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 m -57.05 179.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 60.2 110.879 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -67.44 -31.98 72.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.11 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -111.81 26.3 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -130.64 152.67 49.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 70.12 110.848 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -114.36 179.4 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 74.23 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -71.3 88.78 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.843 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -164.64 160.73 15.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 74.55 110.906 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 143.8 52.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.675 2.25 . . . . 75.54 112.375 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.2 p -55.34 114.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 72.41 111.136 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -96.79 96.53 8.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.909 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -74.31 -36.09 63.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 72.53 110.888 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.1 t -95.35 65.06 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.845 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 70.33 111.082 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 72.43 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -76.25 156.75 33.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.33 111.144 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.516 HD12 ' OG ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -96.34 161.09 28.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 54.42 110.907 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 3' ' ' LEU . 53.7 Cg_endo -69.78 -14.54 36.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.242 . . . . 71.5 112.364 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.516 ' OG ' HD12 ' A' ' 3' ' ' LEU . 1.3 p -61.58 -24.0 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 64.14 110.877 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.09 -25.81 17.28 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 55.02 112.462 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.423 ' HB2' HD21 ' A' ' 12' ' ' LEU . 41.7 m-70 -86.13 152.32 55.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 73.21 110.875 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.42 19.3 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 64.11 112.344 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HB2' HD23 ' A' ' 3' ' ' LEU . 12.5 tttp -63.4 -24.32 67.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 70.44 110.896 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.3 p -68.83 -39.17 80.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.857 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -78.36 -42.89 29.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 70.13 110.825 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.761 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.5 mm? -58.15 -49.38 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 42.42 110.939 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.617 HG21 ' HG2' ' A' ' 25' ' ' GLU . 28.3 mm -62.29 -43.25 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 61.54 111.112 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -65.34 -38.14 89.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.894 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HB3' HD11 ' A' ' 110' ' ' LEU . 1.7 mtmp? -71.57 -48.4 48.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.893 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.761 ' CE2' HD12 ' A' ' 12' ' ' LEU . 14.8 m-85 -59.1 -23.1 61.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 63.12 110.846 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.1 m -66.24 -21.84 66.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 54.14 111.151 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -7.27 58.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.01 111.075 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.743 HD11 HD22 ' A' ' 110' ' ' LEU . 44.2 mt -102.17 4.25 39.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.94 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.13 -150.38 16.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.683 -0.77 . . . . 73.32 112.464 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.8 20.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 71.12 112.345 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -62.12 122.08 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 75.34 110.962 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.6 mp -73.89 141.59 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.12 111.135 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -83.44 93.34 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.32 110.89 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.617 ' HG2' HG21 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -97.78 124.72 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 72.35 110.936 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.75 -152.99 7.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 71.24 112.492 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -87.66 142.93 27.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 60.14 110.931 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -174.11 138.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.5 -39.87 94.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.957 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.37 146.13 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 44.42 110.84 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -105.59 79.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -139.93 154.46 47.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.908 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -105.75 111.08 23.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.856 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -112.13 128.1 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 64.11 110.897 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -120.55 146.58 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 74.51 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -107.03 112.71 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -106.4 143.83 33.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.917 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 76' ' ' PHE . 60.5 mt -111.02 118.43 36.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 64.25 110.893 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.03 -68.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 40.54 111.066 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.7 t -140.66 136.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 72.13 111.118 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.5 m -75.55 147.99 39.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 75.02 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 52' ' ' GLU . 99.3 t -61.31 -51.88 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 54.22 111.123 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.441 ' OD1' HG12 ' A' ' 42' ' ' VAL . 18.9 m-20 -130.32 164.59 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 70.1 110.892 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -119.91 -32.09 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.151 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 6.9 mttt -52.5 -58.36 12.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 64.43 110.895 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.75 -171.38 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.725 2.283 . . . . 63.53 112.322 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 50' ' ' LYS . . . -81.77 159.93 65.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.69 . . . . 63.35 111.088 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.74 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 70.23 112.339 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -70.67 -21.19 62.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.876 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 59.1 mttt -84.11 -14.0 51.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 71.53 110.9 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -121.28 159.68 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.546 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.2 mp0 -92.47 164.8 13.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 63.24 110.846 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -125.07 154.58 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 74.3 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.566 ' HZ3' HG23 ' A' ' 85' ' ' VAL . 75.6 m95 -88.85 144.89 25.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.33 132.27 1.4 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.752 -0.737 . . . . 71.54 112.513 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -89.41 129.49 35.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 75.13 110.942 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -82.98 146.62 28.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.946 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.667 ' CE ' HD23 ' A' ' 60' ' ' LEU . 4.8 tmm? -113.37 112.83 24.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 25.54 110.857 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.36 113.53 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.895 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.667 HD23 ' CE ' ' A' ' 58' ' ' MET . 3.7 pp -117.34 155.29 29.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.923 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -122.36 111.38 16.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 64.35 110.932 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.61 113.7 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.4 111.137 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -78.27 -173.77 3.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 70.22 110.947 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.11 -64.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 72.54 110.912 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.17 37.83 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 75.15 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.729 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 10.8 ptt180 -163.21 172.41 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.21 110.892 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.634 ' HB3' HD21 ' A' ' 111' ' ' LEU . 2.2 m-85 -127.85 144.6 51.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.879 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -141.53 136.21 30.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 75.23 111.171 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -124.63 172.56 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.909 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 mtt85 -145.42 153.16 40.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 71.33 110.889 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -91.57 117.68 29.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 70.12 110.916 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -135.81 117.62 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 71.33 110.891 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -93.37 158.59 15.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 62.2 110.868 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 176.27 -143.3 6.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.496 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 85' ' ' VAL . 2.9 tt -145.18 145.49 31.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.342 . . . . 75.31 110.922 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CD2' HD21 ' A' ' 38' ' ' LEU . 74.5 t80 -101.33 95.4 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.846 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.22 171.54 12.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.908 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -81.34 -24.99 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 64.1 110.902 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.19 -9.77 59.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.55 19.33 77.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 71.34 112.451 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -98.01 158.81 15.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 55.53 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -68.56 121.8 17.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 52.21 110.919 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.7 m -145.74 111.27 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 63.34 111.117 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 84' ' ' VAL . 16.7 m -97.71 120.38 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.133 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.766 HG21 HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -136.67 157.87 74.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.73 . . . . 74.5 111.098 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 149.72 66.85 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.248 . . . . 72.13 112.369 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.4 mm -93.05 115.36 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 71.05 111.146 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -87.11 152.09 22.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.02 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.09 104.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.909 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.2 t -54.45 -27.94 40.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 65.43 111.148 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -54.17 -35.98 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 61.44 110.908 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -78.67 -46.08 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.118 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -33.2 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.142 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.92 -34.35 77.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.581 ' O ' HG23 ' A' ' 99' ' ' THR . 20.4 tpp85 -66.61 -35.97 81.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 72.14 110.825 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.75 -40.94 75.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.932 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.45 -38.38 84.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 64.34 110.901 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -69.63 -50.78 40.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 64.33 110.889 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 95' ' ' ARG . 33.0 p -64.01 -27.64 69.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.119 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 tt -58.52 -48.27 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 61.35 110.892 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -47.51 65.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 54.2 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -57.74 -29.38 64.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.935 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -64.68 -43.53 93.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.907 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.561 ' NE2' HD21 ' A' ' 118' ' ' LEU . 20.1 t-80 -70.2 -32.83 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 72.22 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -49.03 76.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.895 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -74.15 -32.5 63.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 63.23 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.618 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -67.48 -35.49 79.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.856 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.74 ' HD3' HD22 ' A' ' 118' ' ' LEU . 26.7 tpt180 -66.58 -44.44 82.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 63.43 110.883 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -56.16 -46.78 79.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.821 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.743 HD22 HD11 ' A' ' 19' ' ' LEU . 12.2 tp -59.31 -51.7 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.928 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.634 HD21 ' HB3' ' A' ' 67' ' ' PHE . 1.7 mp -59.42 -32.57 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 65.32 110.868 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.08 -30.3 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.49 -30.56 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 72.04 110.888 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.664 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -96.26 -4.65 41.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.912 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 63.29 48.91 3.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.865 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.664 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.1 mm? -103.14 133.1 48.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.857 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.729 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -62.04 140.65 58.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 64.4 111.136 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.74 HD22 ' HD3' ' A' ' 108' ' ' ARG . 6.2 tp -121.84 141.56 51.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.937 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -145.64 160.23 45.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 74.25 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.35 14.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.262 . . . . 71.23 112.342 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.0 t -81.66 129.72 34.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 61.55 110.85 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -61.77 -18.01 58.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 73.44 110.819 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -76.81 -9.34 58.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.874 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -106.95 136.0 47.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -123.94 74.36 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.881 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.0 t0 53.55 40.73 31.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.867 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -144.53 68.53 14.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 73.24 110.917 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.18 68.85 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 2.258 . . . . 70.51 112.321 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.497 HG23 HD22 ' A' ' 131' ' ' LEU . 16.5 m -53.93 147.83 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.53 111.158 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -75.67 97.49 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 65.45 110.964 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.497 HD22 HG23 ' A' ' 129' ' ' VAL . 4.5 mm? -73.14 -27.6 61.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 75.24 110.919 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 94.2 p -105.25 58.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.867 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 71.12 111.088 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.882 0.373 . . . . 74.15 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -88.33 159.92 17.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 75.05 111.151 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.07 153.82 91.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 74.35 110.885 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -17.23 37.81 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 41.43 112.323 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -18.94 58.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.861 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.33 1.17 31.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 73.43 112.538 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.65 150.25 37.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 65.35 110.892 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.609 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.6 Cg_endo -69.8 125.32 11.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.264 . . . . 72.31 112.336 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -69.21 -50.13 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.7 t -54.49 -36.69 64.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 61.24 110.838 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -46.14 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.853 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.785 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.3 mm? -58.96 -48.86 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.906 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mm -55.7 -48.04 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.13 111.152 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -65.35 -47.33 76.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 64.35 110.919 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HB3' HD11 ' A' ' 110' ' ' LEU . 9.7 mtpt -57.59 -49.71 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 71.42 110.946 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.785 ' CE2' HD12 ' A' ' 12' ' ' LEU . 15.9 m-85 -58.9 -33.36 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.41 110.875 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.6 m -63.3 -21.15 66.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 51.52 111.109 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.52 57.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 70.33 111.092 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.979 HD11 HD22 ' A' ' 110' ' ' LEU . 10.0 mt -105.36 4.06 30.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 73.11 110.861 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.13 -145.99 10.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 62.51 112.498 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 165.09 32.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 2.263 . . . . 73.14 112.35 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -63.45 141.37 58.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 55.31 110.931 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.7 mp -94.05 136.35 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 62.1 111.132 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.23 93.78 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.907 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.74 159.3 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.43 110.905 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.95 142.7 9.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 60.43 112.516 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -116.42 55.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 65.33 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 p -119.0 -38.15 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.905 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -158.05 172.44 18.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 62.03 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -74.9 123.11 24.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.813 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -153.97 177.3 11.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 62.34 110.867 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -98.79 160.49 14.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.882 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -68.74 133.45 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 62.24 110.917 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.478 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.8 m-85 -101.02 122.21 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 71.15 110.869 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -112.76 134.85 54.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 64.12 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -106.77 112.64 25.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 60.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.3 m -106.18 105.76 15.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.912 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.3 mt -110.7 89.7 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.938 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.04 -57.44 2.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 62.41 111.14 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.821 HG21 HG13 ' A' ' 92' ' ' VAL . 3.0 m -138.09 159.42 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 71.41 111.111 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.0 p -83.05 149.68 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.885 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.509 HG12 ' OD1' ' A' ' 43' ' ' ASN . 59.2 t -80.06 -36.81 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 63.34 111.109 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.509 ' OD1' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -178.16 154.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 74.2 110.879 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.48 -11.58 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.14 111.142 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.532 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 12.7 mtpt -51.56 -58.27 11.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 74.2 110.86 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.76 160.09 50.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 73.2 112.378 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.67 160.07 1.14 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 71.41 111.08 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.79 -30.65 21.8 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.663 2.242 . . . . 54.33 112.373 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -63.65 -25.6 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.878 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -111.05 16.99 20.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 53.31 110.891 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 25.0 ttm180 -72.11 152.04 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 73.24 110.859 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.751 ' HB3' HD11 ' A' ' 75' ' ' LEU . 34.6 mt-10 -135.76 154.0 51.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.12 110.878 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -129.21 148.21 51.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.24 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.549 ' HD1' HG23 ' A' ' 40' ' ' VAL . 80.9 m95 -80.98 155.44 26.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.91 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.02 -178.97 39.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 60.22 112.527 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -133.33 119.97 20.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 72.24 110.915 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -86.16 130.15 34.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 73.05 110.895 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -122.06 116.73 24.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 45.23 110.894 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -113.41 116.85 30.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.905 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -126.55 159.45 33.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 75.34 110.89 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -128.15 117.0 20.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 71.52 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.4 138.81 20.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 61.21 111.139 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.02 -177.9 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 45.41 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -49.89 -59.77 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.15 110.878 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.487 ' O ' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -135.46 8.48 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.903 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.585 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 56.4 mtm180 -122.11 178.07 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.835 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.722 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -146.5 131.59 18.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.846 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -108.46 164.19 12.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 73.35 111.151 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -157.5 143.52 17.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 73.53 110.957 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -149.29 127.5 12.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 75.31 110.902 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD1' HD11 ' A' ' 100' ' ' LEU . 9.1 p90 -111.49 139.58 46.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.933 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -135.69 145.01 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -91.9 156.6 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.887 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.68 -134.75 4.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 55.42 112.507 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 52' ' ' GLU . 16.9 tp -144.8 143.55 30.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.54 110.876 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.636 ' H ' HD12 ' A' ' 75' ' ' LEU . 15.2 t80 -103.68 96.45 6.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.15 110.854 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.89 170.47 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 70.33 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -20.53 42.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.17 -9.67 59.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 44.34 110.857 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.49 19.12 76.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 72.53 112.502 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -100.66 137.54 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 73.35 110.887 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 15.5 m0 -51.96 121.66 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 63.52 110.964 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.1 m -140.64 108.24 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 75.11 111.152 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 84' ' ' VAL . 16.6 m -97.45 120.13 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 73.24 111.146 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.542 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -127.76 158.02 71.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 70.45 111.174 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.22 50.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.708 2.272 . . . . 63.12 112.363 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -97.1 115.34 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 64.52 111.11 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -94.97 155.68 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.98 101.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 70.42 110.921 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -52.86 -27.95 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.107 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.05 -35.17 61.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 71.23 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.821 HG13 HG21 ' A' ' 40' ' ' VAL . 62.2 t -78.97 -45.91 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.23 111.168 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -33.08 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 51.33 111.109 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -69.91 -32.78 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 65.23 110.914 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -74.56 -35.09 63.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.898 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.511 HD23 HG12 ' A' ' 92' ' ' VAL . 4.4 mm? -70.81 -45.21 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 62.33 110.931 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.22 -38.66 92.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.9 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -65.93 -47.29 75.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.946 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 p -59.7 -24.88 64.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 71.34 111.178 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.605 HD11 ' CD1' ' A' ' 71' ' ' TYR . 1.6 tt -74.79 -40.72 60.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.949 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -71.06 -49.78 41.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.05 110.841 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -33.61 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 70.43 110.906 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.521 ' CE1' HD23 ' A' ' 107' ' ' LEU . 14.0 t80 -72.79 -34.21 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 64.32 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -41.4 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.869 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.57 -47.84 84.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 74.44 110.908 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -65.97 -31.93 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 60.53 110.954 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.743 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.7 -35.93 82.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 63.34 110.93 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.413 ' HG2' HD11 ' A' ' 112' ' ' ILE . 27.2 ttt180 -60.01 -41.91 93.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 54.44 110.88 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.407 ' HA ' HD12 ' A' ' 112' ' ' ILE . 34.0 t70 -56.19 -46.42 79.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 64.55 110.873 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.979 HD22 HD11 ' A' ' 19' ' ' LEU . 51.6 tp -58.71 -50.06 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.92 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.685 HD21 HD13 ' A' ' 118' ' ' LEU . 7.2 mp -63.84 -36.83 85.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.92 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.413 HD11 ' HG2' ' A' ' 108' ' ' ARG . 25.0 mt -61.74 -37.01 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 54.45 111.127 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -73.57 -23.24 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.861 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.2 mtm -96.06 -5.06 41.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.888 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 64.04 42.68 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 70.52 110.921 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 65' ' ' LYS . 3.5 mm? -109.73 138.14 46.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.933 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.585 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -83.76 139.46 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 72.12 111.115 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 67' ' ' PHE . 14.6 tp -129.76 121.1 26.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 63.52 110.891 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -147.56 159.8 40.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.721 . . . . 74.41 110.904 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 171.33 14.59 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.715 2.276 . . . . 64.33 112.361 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.3 m -110.58 125.19 53.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 53.45 110.883 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.25 -22.73 53.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.87 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -95.9 26.41 4.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.866 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -94.59 108.31 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.878 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -122.71 112.49 18.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.908 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -173.78 175.73 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 60.1 110.831 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -113.88 73.81 2.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 73.4 110.89 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.11 54.64 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 74.05 112.345 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 5.3 m -53.84 155.65 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 61.33 111.118 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -95.42 98.59 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.14 -31.05 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 65.01 110.908 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.0 t -89.67 64.73 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 64.12 110.903 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 72.44 111.105 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.863 0.363 . . . . 60.54 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.6 p -134.23 153.83 51.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 72.2 111.097 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 62' ' ' ALA . 9.0 mp -74.09 161.0 80.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.565 0.697 . . . . 65.14 110.918 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -26.26 27.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.229 . . . . 75.35 112.347 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.61 -19.64 55.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 72.53 110.871 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.36 8.07 27.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 64.24 112.482 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.8 153.07 45.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.613 0.72 . . . . 75.51 110.834 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' HD13 ' A' ' 12' ' ' LEU . 53.4 Cg_endo -69.78 124.29 10.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 73.22 112.339 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -70.66 -57.17 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 52.14 110.929 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.7 m -54.16 -45.94 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.88 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -62.03 -34.91 77.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 75.14 110.904 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 8' ' ' PRO . 3.0 mp -73.22 -49.29 28.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.856 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.94 -41.56 77.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 63.34 111.124 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -67.91 -40.5 83.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.887 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB3' HD11 ' A' ' 110' ' ' LEU . 13.2 mtmm -68.0 -44.06 77.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 54.23 110.902 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 110' ' ' LEU . 18.1 m-85 -58.75 -26.6 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.834 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.1 m -63.13 -21.25 66.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 62.13 111.187 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -7.26 58.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 64.51 111.071 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.005 HD11 HD22 ' A' ' 110' ' ' LEU . 42.5 mt -103.74 4.32 35.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.907 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.24 -150.88 19.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.755 . . . . 72.23 112.476 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.4 18.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 60.21 112.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -61.38 132.53 53.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.947 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 23' ' ' ILE . 5.0 mp -79.34 143.86 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 74.25 111.123 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -82.31 93.96 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 71.42 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -51.88 -31.79 29.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.863 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.25 154.74 0.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 55.31 112.465 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -85.79 -49.07 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 72.01 110.928 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.17 160.11 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.872 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -90.99 88.0 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.888 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.8 151.93 31.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 43.42 110.873 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.12 41.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.918 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -138.03 156.91 47.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.866 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -112.76 122.23 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 64.15 110.926 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -93.39 149.18 21.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 65.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -148.73 116.35 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.865 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.08 111.99 24.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 70.32 110.876 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 p -107.06 129.47 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 61.21 110.882 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.401 HD22 ' HD2' ' A' ' 53' ' ' PHE . 15.7 mt -105.63 90.52 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.55 110.937 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.69 -70.51 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 72.35 111.113 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.689 HG21 HG13 ' A' ' 92' ' ' VAL . 2.4 m -126.36 157.63 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 73.5 111.12 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 t -89.79 135.89 33.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 61.41 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.781 HG12 ' CE2' ' A' ' 54' ' ' TRP . 17.3 m -56.27 -39.64 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 75.12 111.127 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -178.14 171.05 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.0 m -135.18 13.27 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.23 111.129 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -67.21 -58.37 9.13 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.612 0.72 . . . . 72.35 110.912 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.74 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 71.12 112.359 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -72.43 159.96 84.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 40.02 111.091 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.72 -23.87 30.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 72.03 112.347 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -63.57 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 63.45 110.873 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -113.61 17.14 18.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.14 110.872 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.11 144.26 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.85 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.638 ' HB3' HD11 ' A' ' 75' ' ' LEU . 21.7 mt-10 -136.99 166.76 22.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.89 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HD2' HD22 ' A' ' 38' ' ' LEU . 16.3 m-85 -136.22 146.25 46.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.904 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.781 ' CE2' HG12 ' A' ' 42' ' ' VAL . 79.1 m95 -80.81 155.63 26.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 73.53 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.631 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . 163.73 150.29 6.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.779 -0.724 . . . . 71.21 112.492 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.414 ' HD1' HD12 ' A' ' 96' ' ' LEU . 38.3 p-90 -114.92 129.58 56.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.301 . . . . 73.3 110.937 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -91.37 175.59 6.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 72.14 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.8 116.97 7.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.867 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.75 112.35 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.889 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.527 HD12 ' HE1' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -134.94 160.06 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.968 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -137.03 126.8 25.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 51.22 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.548 ' HB3' HD23 ' A' ' 3' ' ' LEU . . . -49.5 118.93 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.09 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.28 175.54 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.22 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -64.29 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 64.42 110.927 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 36.34 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 72.15 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.867 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 8.0 ptp180 -168.66 -179.38 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.33 110.879 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.527 ' HE1' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -136.87 145.12 44.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.89 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.4 t -126.69 164.38 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.02 111.114 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -151.88 143.67 23.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.941 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -126.93 160.67 30.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -110.71 121.43 45.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.942 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -135.41 119.04 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 42.41 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -91.59 164.15 13.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.919 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.45 -164.64 35.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 64.42 112.473 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 52' ' ' GLU . 21.6 tp -123.26 143.49 50.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 63.35 110.94 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.6 ' H ' HD12 ' A' ' 75' ' ' LEU . 56.1 t80 -109.43 101.16 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.894 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -79.82 171.45 15.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 75.52 110.846 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -58.36 -29.16 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 65.11 110.887 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -88.67 -9.72 51.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.04 110.861 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.58 18.58 78.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 72.45 112.481 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.94 121.39 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 74.4 110.904 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -60.03 121.64 12.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.943 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.0 m -145.71 114.25 6.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 75.14 111.184 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.8 m -70.46 118.91 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 65.2 111.097 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.438 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.8 OUTLIER -133.28 158.17 76.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 64.12 111.163 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 146.52 60.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 74.44 112.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.91 146.49 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.23 111.161 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.408 ' HB2' HG21 ' A' ' 92' ' ' VAL . 3.2 m120 -57.35 -176.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 65.41 110.878 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 169.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 64.42 110.847 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -53.3 -27.43 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 71.34 111.161 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.401 ' HG3' HG23 ' A' ' 92' ' ' VAL . 10.5 pt-20 -53.39 -42.25 66.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.33 110.901 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.689 HG13 HG21 ' A' ' 40' ' ' VAL . 98.8 t -79.72 -48.75 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.34 -33.29 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 53.33 111.118 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.29 -36.6 84.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 53.4 110.908 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 99' ' ' THR . 17.1 tpp180 -62.88 -46.31 88.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 61.31 110.884 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.631 HD11 ' HA2' ' A' ' 55' ' ' GLY . 4.4 mm? -70.79 -37.28 73.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.919 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.48 -41.62 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.8 -37.94 89.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 70.25 110.947 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 95' ' ' ARG . 20.1 p -73.06 -28.4 62.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 74.15 111.091 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 101' ' ' ARG . 3.0 tt -60.25 -48.32 82.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.976 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.446 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.3 tpt85 -69.24 -34.88 75.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.916 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -71.87 -29.34 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 54.22 110.872 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -45.72 88.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.924 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -69.83 -32.28 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 64.53 110.883 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.93 -47.73 67.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.862 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -67.1 -33.18 74.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.852 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.526 HD12 HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -71.42 -33.98 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 41.32 110.916 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.462 ' HE ' HD11 ' A' ' 112' ' ' ILE . 10.3 mmm-85 -52.1 -42.82 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.856 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.63 -37.89 88.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.838 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.005 HD22 HD11 ' A' ' 19' ' ' LEU . 5.1 tp -69.16 -51.01 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.932 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.579 HD12 HD11 ' A' ' 118' ' ' LEU . 46.5 mt -63.42 -39.14 93.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 72.24 110.904 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.462 HD11 ' HE ' ' A' ' 108' ' ' ARG . 26.6 mt -64.95 -31.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.191 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.2 t -73.46 -24.26 60.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 64.13 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.557 ' HB3' HD23 ' A' ' 116' ' ' LEU . 12.4 mtm -92.14 -3.25 55.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.906 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 64.33 45.81 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.878 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 114' ' ' MET . 3.9 mm? -105.78 173.07 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 55.01 110.916 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.867 ' HB3' ' HB2' ' A' ' 66' ' ' ARG . . . -94.64 152.37 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.05 111.109 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.579 HD11 HD12 ' A' ' 111' ' ' LEU . 3.4 mm? -123.4 112.49 17.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.903 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.453 ' OE2' ' HB1' ' A' ' 117' ' ' ALA . 4.3 mp0 -126.82 157.04 72.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 73.35 110.929 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 170.73 15.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 74.54 112.364 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.1 m -76.19 142.08 41.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 60.23 110.871 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.01 -25.9 46.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 70.14 110.882 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -95.84 25.81 4.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.909 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -111.69 109.09 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -117.67 -66.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.878 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -158.26 177.35 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 74.51 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 57.71 68.47 1.92 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.659 0.742 . . . . 74.44 110.908 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 158.62 56.31 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.231 . . . . 73.51 112.362 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.21 123.97 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.142 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 133' ' ' ALA . 4.3 mptt -64.34 98.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.35 110.893 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.23 -36.6 78.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.899 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.6 m -100.57 64.82 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.898 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 130' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 72.14 111.111 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.348 . . . . 73.23 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.8 p -75.7 160.02 30.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 71.11 111.173 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.72 HD11 ' HG ' ' A' ' 12' ' ' LEU . 12.2 mt -63.83 154.13 81.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 70.24 110.911 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -17.08 37.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 71.3 112.326 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -17.97 50.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 53.23 110.816 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.91 28.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 71.1 112.499 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.84 149.22 36.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 72.32 110.849 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.642 ' O ' HD23 ' A' ' 12' ' ' LEU . 54.7 Cg_endo -69.73 127.23 14.32 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 74.14 112.358 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -32.99 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.935 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 p -68.27 -47.13 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.895 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -62.39 -41.31 98.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 73.25 110.866 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.741 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.4 mm? -60.06 -49.32 78.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.9 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.05 -48.36 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 73.25 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -35.05 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 70.32 110.888 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.764 ' HB3' HD11 ' A' ' 110' ' ' LEU . 6.2 mttp -72.97 -50.63 22.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 65.32 110.861 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.741 ' CE2' HD12 ' A' ' 12' ' ' LEU . 16.3 m-85 -59.0 -29.84 67.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 73.44 110.846 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.9 m -59.56 -21.89 60.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 73.32 111.154 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.19 -7.82 59.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.52 111.101 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.718 HD11 HD22 ' A' ' 110' ' ' LEU . 39.0 mt -104.74 4.28 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.91 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.56 -151.31 19.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 55.51 112.491 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.6 21.1 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 63.32 112.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.06 123.67 18.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.923 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.4 mp -72.03 138.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 74.23 111.158 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -83.26 102.43 11.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 75.22 110.892 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.47 114.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.35 110.86 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.84 175.33 0.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 75.45 112.502 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -57.56 -179.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 74.32 110.934 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 t -51.88 -45.94 64.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -95.48 64.61 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.897 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.49 144.96 35.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 24.33 110.924 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -127.86 -55.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 65.13 110.908 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -113.33 157.91 21.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.55 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -93.71 153.32 18.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.882 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -143.76 119.22 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.845 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.69 142.6 45.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 72.11 110.901 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -106.71 112.83 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.22 110.872 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 t -106.35 128.4 53.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 73.35 110.93 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.434 HD22 ' HD2' ' A' ' 53' ' ' PHE . 41.5 mt -110.56 108.37 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 44.23 110.934 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.88 -69.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 70.23 111.063 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.37 143.97 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 74.03 111.136 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 p -74.8 155.81 37.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 65.52 110.867 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG22 ' CE2' ' A' ' 54' ' ' TRP . 43.8 t -80.68 -51.54 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.117 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -152.14 168.64 24.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 71.33 110.89 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 44' ' ' VAL . 10.5 p -120.26 -8.81 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.114 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 mtpp -51.51 -58.31 11.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.597 0.713 . . . . 53.31 110.914 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.0 Cg_endo -69.78 160.15 50.76 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.23 . . . . 72.25 112.371 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.62 160.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 40.42 111.082 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.77 -36.48 10.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 74.2 112.384 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.13 -25.31 68.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.33 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -110.86 17.0 20.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 75.3 110.883 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 14.1 ttp180 -80.73 120.47 24.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.868 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -91.21 142.61 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.863 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.434 ' HD2' HD22 ' A' ' 38' ' ' LEU . 6.8 m-85 -118.33 154.87 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 63.44 110.899 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.695 ' CE2' HG22 ' A' ' 42' ' ' VAL . 23.1 m95 -81.48 135.97 35.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.904 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.33 167.46 40.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.752 -0.737 . . . . 44.4 112.529 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -133.07 128.46 36.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.744 0.307 . . . . 74.21 110.973 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 41.1 p90 -91.99 167.42 12.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 74.51 110.916 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ttp -134.05 116.71 15.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 42.45 110.894 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -113.26 113.4 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 64.33 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.4 pp -134.5 159.47 41.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 71.03 110.91 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -127.41 111.39 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.905 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.35 141.18 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 75.1 111.07 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -108.08 -179.48 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.915 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.07 -64.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.855 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.56 41.57 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 64.31 110.887 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.635 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 58.1 mtt180 -158.24 179.72 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.841 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.97 132.88 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.859 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.7 t -111.01 163.99 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.107 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -154.83 143.31 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 72.3 110.936 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -121.2 139.44 53.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 73.43 110.849 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.481 ' HD2' HD21 ' A' ' 100' ' ' LEU . 2.1 m-85 -114.87 103.91 11.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 64.54 110.939 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -135.99 146.79 47.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 73.53 110.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' HD13 ' A' ' 100' ' ' LEU . 28.3 m-85 -94.01 160.72 14.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 61.21 110.911 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.98 -160.16 24.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 75.51 112.525 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.738 HD13 HG21 ' A' ' 85' ' ' VAL . 2.6 tt -132.91 145.81 51.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 72.31 110.925 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -108.09 104.94 14.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.886 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.1 179.25 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 71.42 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -76.3 -29.1 57.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.918 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -81.63 -9.76 59.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 70.44 110.88 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.05 19.8 75.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.675 -0.774 . . . . 71.33 112.485 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -89.51 146.59 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 71.54 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -69.41 122.01 18.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.911 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 m -141.68 125.63 17.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.01 111.123 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.8 m -89.66 122.77 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 72.41 111.076 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.738 HG21 HD13 ' A' ' 75' ' ' LEU . 2.2 m -142.83 156.9 62.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 74.55 111.157 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.7 69.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 65.5 112.374 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.5 HG21 HG23 ' A' ' 93' ' ' VAL . 43.0 mm -96.96 145.47 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 63.23 111.107 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -57.87 -175.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.85 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.48 167.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -53.15 -27.6 21.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 73.02 111.119 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' HG3' HG23 ' A' ' 92' ' ' VAL . 9.7 pt-20 -53.56 -42.14 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.831 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.415 HG23 ' HG3' ' A' ' 91' ' ' GLU . 97.7 t -79.6 -48.77 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.32 111.126 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.5 HG23 HG21 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -51.49 -33.14 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 71.2 111.108 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.91 -37.41 87.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 99' ' ' THR . 25.2 tpt180 -66.72 -46.7 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.908 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.88 -34.87 72.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 71.3 110.882 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.68 -48.76 80.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.17 -50.94 71.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.902 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 95' ' ' ARG . 52.5 p -60.26 -30.25 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 61.32 111.157 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.578 HD13 ' CE1' ' A' ' 73' ' ' PHE . 3.7 tt -73.72 -45.1 54.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 70.45 110.907 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.457 ' HD2' HD12 ' A' ' 131' ' ' LEU . 11.4 ttt180 -69.47 -49.48 54.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.875 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.35 -29.22 65.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 63.34 110.849 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.696 ' CE1' HD23 ' A' ' 107' ' ' LEU . 33.2 t80 -63.81 -35.09 79.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 63.22 110.858 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -63.38 -32.82 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.833 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -47.53 51.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.04 110.887 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -32.5 74.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.878 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.696 HD23 ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -66.14 -38.68 88.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.899 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.4 ' HG2' HD11 ' A' ' 112' ' ' ILE . 21.7 ttt180 -55.78 -47.89 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.844 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.645 ' HA ' HD12 ' A' ' 112' ' ' ILE . 17.4 t70 -57.04 -44.75 83.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.872 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.764 HD11 ' HB3' ' A' ' 15' ' ' LYS . 9.6 tp -58.99 -52.01 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 53.12 110.907 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.97 -33.03 72.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.885 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 109' ' ' ASP . 26.0 mt -62.1 -32.82 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 63.0 111.132 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -30.92 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 41.2 110.86 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.702 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -97.02 -2.31 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.858 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 63.19 46.89 4.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.873 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.702 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.8 mm? -103.37 153.92 19.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.888 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.635 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -94.04 159.61 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.124 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.6 mt -117.55 132.69 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.882 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -156.24 157.53 31.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.632 0.729 . . . . 75.23 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.82 18.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 73.42 112.368 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 t -110.77 -177.77 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 70.11 110.83 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -80.21 -22.94 41.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.27 -9.33 58.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 60.21 110.851 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -91.06 107.59 19.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 73.15 110.895 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -94.21 -74.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 53.2 110.875 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -175.06 179.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 61.21 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 60.95 68.33 1.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 51.03 110.886 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 158.95 55.15 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.719 2.279 . . . . 74.45 112.316 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 131' ' ' LEU . 7.3 p -54.01 139.67 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 61.43 111.143 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -67.05 97.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 63.21 110.907 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 129' ' ' VAL . 4.1 mm? -73.3 -34.99 66.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 71.52 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.3 t -102.98 46.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 62.33 110.869 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 70.24 111.065 179.878 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.852 0.358 . . . . 72.41 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.0 p -76.39 159.71 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.139 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.663 HD11 HD22 ' A' ' 12' ' ' LEU . 13.5 mt -63.95 154.18 82.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.55 0.69 . . . . 63.55 110.968 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -17.11 37.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 75.45 112.336 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -20.36 56.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 70.1 110.903 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.14 2.04 31.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 52.05 112.475 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.415 ' HD2' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -95.12 140.31 22.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 75.12 110.837 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 124.94 11.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 72.44 112.382 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -69.66 -33.39 72.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.25 110.889 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -66.3 -33.71 76.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.843 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -77.91 -34.0 51.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 54.35 110.868 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.663 HD22 HD11 ' A' ' 3' ' ' LEU . 4.7 mp -73.69 -48.99 28.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.899 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.3 mm -54.94 -43.19 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.1 111.107 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -67.89 -34.33 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 72.21 110.899 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HB3' HD11 ' A' ' 110' ' ' LEU . 4.1 mtpp -71.33 -49.46 42.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.907 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE1' HD21 ' A' ' 110' ' ' LEU . 45.4 m-85 -58.62 -26.74 64.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.883 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.0 m -61.37 -21.66 64.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 72.1 111.129 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.26 -7.33 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.101 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.848 HD11 HD22 ' A' ' 110' ' ' LEU . 41.5 mt -103.54 4.02 35.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.2 110.939 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.03 -150.62 18.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.728 . . . . 73.25 112.494 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.1 19.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 73.12 112.352 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -61.63 129.6 41.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 71.2 110.929 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -76.56 139.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 54.14 111.161 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -83.75 113.08 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.881 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -52.08 -53.2 45.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 60.35 110.847 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.94 -137.83 13.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 70.43 112.484 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -167.72 -176.17 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 73.31 110.927 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t 62.06 30.4 17.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 34.51 110.921 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 39.45 41.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 70.45 110.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -52.27 157.67 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 53.21 110.861 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -111.16 26.54 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.925 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -135.18 161.09 36.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -110.87 135.59 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 75.42 110.904 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' ILE . 6.9 t80 -93.37 147.38 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -147.97 138.83 23.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 74.5 110.878 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -106.85 113.46 26.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 70.3 110.924 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.1 m -105.32 102.87 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 72.45 110.901 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -104.75 90.42 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 71.3 110.927 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.31 -71.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 63.3 111.058 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.39 145.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.24 111.103 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.6 p -79.53 133.32 36.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.866 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.751 HG12 ' CE2' ' A' ' 54' ' ' TRP . 18.6 m -58.45 -39.39 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.24 111.093 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -179.72 -177.1 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.859 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.42 22.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 74.04 111.131 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 16.8 mttm -66.88 -58.42 9.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 73.53 110.959 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.0 Cg_endo -69.77 179.25 3.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 43.33 112.341 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -65.9 159.58 68.73 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.557 0.694 . . . . 55.1 111.111 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.78 -23.68 30.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 74.44 112.331 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.86 -25.91 59.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 5.7 ptpp? -105.91 17.71 23.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.933 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.47 159.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 64.51 110.887 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CD ' HD21 ' A' ' 75' ' ' LEU . 27.2 mt-10 -136.11 156.68 48.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 65.25 110.834 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -144.17 146.7 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.833 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.751 ' CE2' HG12 ' A' ' 42' ' ' VAL . 93.6 m95 -81.13 138.6 35.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 72.45 110.889 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.525 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . -166.21 166.29 38.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 70.31 112.461 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -116.1 125.44 52.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 75.23 110.946 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -74.29 151.87 39.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 74.12 110.946 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.4 ttp -140.81 112.88 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -113.42 113.7 25.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 61.14 110.877 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.626 HD13 ' CE2' ' A' ' 67' ' ' PHE . 3.4 pp -119.22 156.6 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 44.44 110.892 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -131.24 111.58 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 55.22 110.878 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.89 126.37 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 54.42 111.093 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -178.26 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -52.96 -50.16 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.883 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.15 25.76 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.679 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 28.2 mtp180 -144.46 177.48 8.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.24 110.895 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.626 ' CE2' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -137.6 133.27 34.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 75.12 110.869 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.1 t -138.36 138.84 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 73.51 111.092 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -126.14 171.92 10.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.941 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -129.51 160.75 32.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 61.21 110.866 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -107.54 120.53 42.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.939 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -135.88 145.16 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 72.11 110.904 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.22 155.34 29.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.99 -152.38 19.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.723 -0.751 . . . . 64.34 112.48 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.616 HD12 ' H ' ' A' ' 76' ' ' PHE . 15.7 tp -140.67 143.61 35.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 65.2 110.939 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.616 ' H ' HD12 ' A' ' 75' ' ' LEU . 30.1 t80 -104.72 113.25 26.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 64.42 110.869 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -97.39 170.11 9.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.62 -16.65 62.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.916 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.17 -9.8 59.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.9 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.54 16.65 71.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 30.51 112.484 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -103.13 121.45 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 70.34 110.886 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -55.74 124.8 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 75.2 110.914 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.7 m -137.87 111.81 8.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.35 111.183 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.1 m -77.58 131.03 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 64.41 111.133 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.565 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.6 OUTLIER -148.21 157.88 42.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 75.22 111.157 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 152.3 69.24 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.699 2.266 . . . . 64.52 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.472 HG21 HG23 ' A' ' 93' ' ' VAL . 43.9 mm -96.12 115.22 34.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 71.32 111.117 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -91.13 150.34 21.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 64.13 103.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.05 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -54.26 -27.87 37.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 65.55 111.171 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -53.58 -35.43 60.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 73.22 110.922 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.48 -45.76 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 73.43 111.135 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.472 HG23 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -52.61 -33.18 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 64.1 111.124 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.32 -36.42 83.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 62.21 110.9 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -72.1 -34.77 68.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.525 HD11 ' HA2' ' A' ' 55' ' ' GLY . 3.9 mm? -68.27 -36.16 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.902 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.622 ' HA ' HD23 ' A' ' 100' ' ' LEU . 92.5 mt-10 -69.45 -38.9 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 53.43 110.91 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -71.53 -36.48 71.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 71.55 110.887 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 p -65.31 -46.37 80.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.31 111.171 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -62.24 -34.04 75.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 64.4 110.919 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -69.31 -45.13 70.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.841 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.59 -29.12 63.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.913 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -58.15 -35.22 71.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.828 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -70.11 -32.44 70.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.827 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.25 -48.98 78.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 64.33 110.83 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HG3' HD22 ' A' ' 19' ' ' LEU . 12.8 ptmt -74.05 -32.54 63.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.9 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -59.2 -35.51 73.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 54.55 110.931 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -59.58 -49.02 79.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.15 110.836 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -56.32 -45.83 80.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 53.01 110.899 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.848 HD22 HD11 ' A' ' 19' ' ' LEU . 4.8 tp -58.59 -51.61 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 71.5 110.909 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 118' ' ' LEU . 4.6 mp -62.52 -32.26 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.941 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.0 mt -68.01 -29.89 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.23 111.157 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.7 t -73.24 -24.63 60.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 61.31 110.873 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.1 ptp -104.61 -1.06 26.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 75.32 110.856 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 63.09 34.71 13.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.871 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.34 114.79 29.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 65.04 110.922 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.679 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -60.7 159.42 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 64.44 111.165 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.442 ' HB2' HD23 ' A' ' 111' ' ' LEU . 49.0 tp -124.95 135.48 52.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 74.03 110.911 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -145.5 160.16 45.8 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.614 0.721 . . . . 73.14 110.896 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 170.99 15.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 75.43 112.284 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.79 151.82 23.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.877 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.63 -24.63 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.87 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -95.89 26.39 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 60.53 110.848 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -91.06 110.81 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 71.13 110.861 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -81.45 -173.94 4.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.899 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -98.69 37.5 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.867 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -132.98 69.61 78.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 72.22 110.861 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 156.83 62.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.721 2.28 . . . . 74.32 112.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.585 HG11 ' HG2' ' A' ' 97' ' ' GLU . 85.3 t -60.26 134.51 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.43 111.162 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -83.96 98.02 9.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 61.42 110.941 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.98 -31.21 72.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 74.43 110.937 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 m -95.69 52.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 55.41 110.813 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 65.41 111.112 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.873 0.368 . . . . 74.23 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -75.77 160.67 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 72.11 111.17 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.21 153.9 79.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 70.21 110.913 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -17.35 37.46 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 73.24 112.321 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -20.46 55.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.86 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.17 0.27 31.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 72.42 112.523 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 139.74 22.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.607 0.718 . . . . 62.15 110.863 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 124.63 11.27 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.636 2.224 . . . . 64.01 112.383 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -42.5 71.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 53.44 110.881 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 p -61.47 -31.05 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 62.52 110.84 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -77.72 -43.66 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.874 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mp -68.17 -48.65 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.12 110.905 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.8 mm -54.84 -45.83 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 64.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -68.15 -34.13 75.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 72.43 110.882 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.688 ' HB3' HD11 ' A' ' 110' ' ' LEU . 22.5 mtmm -68.99 -47.64 65.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.925 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.464 ' CE1' HD21 ' A' ' 110' ' ' LEU . 30.4 m-85 -58.86 -30.55 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 74.42 110.912 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 m -61.01 -21.46 63.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 74.12 111.149 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.61 -8.92 59.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.096 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.042 HD11 HD22 ' A' ' 110' ' ' LEU . 13.9 mt -104.91 4.14 31.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.959 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.62 -148.55 14.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 52.13 112.461 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.33 24.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.252 . . . . 71.11 112.363 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -62.82 146.46 52.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.919 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 34' ' ' PHE . 5.1 mp -97.19 144.73 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 51.32 111.104 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 -77.74 93.84 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 72.34 110.873 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.9 160.59 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 62.44 110.857 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.13 175.9 36.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 72.35 112.466 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -118.98 122.16 41.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 61.43 110.852 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.4 m 55.77 27.1 10.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -101.06 -38.51 8.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 71.13 110.891 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -169.62 161.42 9.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 64.24 110.89 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.73 28.48 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.923 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -122.01 160.86 24.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 74.24 110.831 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -103.52 123.24 46.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 23' ' ' ILE . 6.7 t80 -93.28 149.36 21.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 71.13 110.904 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -150.89 139.01 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 71.11 110.878 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -107.01 113.05 26.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 75.43 110.825 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.6 m -101.74 98.6 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 43.22 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.4 mt -111.07 107.01 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.15 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.15 -63.18 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.42 111.104 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.653 HG21 HG13 ' A' ' 92' ' ' VAL . 2.7 m -134.9 154.57 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 54.44 111.105 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -90.83 144.94 25.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.893 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 52' ' ' GLU . 6.2 p -81.26 -31.08 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.185 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -177.54 149.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 74.41 110.892 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.561 HG23 ' CZ ' ' A' ' 51' ' ' ARG . 9.5 p -127.81 1.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 61.42 111.147 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 3.0 mptt -51.33 -58.21 11.44 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.575 0.703 . . . . 74.32 110.901 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.1 Cg_endo -69.8 168.74 20.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 73.24 112.344 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.53 160.04 1.09 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.699 . . . . 72.22 111.121 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.76 -23.94 30.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 74.01 112.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -63.53 -25.49 68.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.896 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -112.05 17.17 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.561 ' CZ ' HG23 ' A' ' 44' ' ' VAL . 3.7 tpp85 -68.27 145.0 54.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 72.24 110.87 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.719 ' O ' HG12 ' A' ' 42' ' ' VAL . 74.1 mt-10 -137.04 145.43 44.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.863 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -129.65 152.52 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.901 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.553 ' HD1' HG23 ' A' ' 40' ' ' VAL . 52.2 m95 -80.97 150.4 28.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.905 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.89 172.16 43.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 75.31 112.494 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -125.41 110.08 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 72.13 110.89 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -52.2 146.68 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.931 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.663 ' SD ' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -127.7 111.58 13.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 65.03 110.867 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.3 112.83 23.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 64.23 110.877 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.663 HD22 ' SD ' ' A' ' 58' ' ' MET . 2.5 pt? -135.09 158.66 43.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.931 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -138.02 110.98 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.928 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.96 113.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 71.21 111.123 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -77.4 178.11 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.913 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -49.67 -49.22 48.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 63.02 110.847 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.21 15.93 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.882 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -134.78 169.28 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 43.45 110.885 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -129.36 149.82 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 70.34 110.916 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -125.23 161.54 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.41 111.107 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -152.56 145.06 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.934 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 160.73 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.03 110.904 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -114.16 120.28 39.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 75.51 110.874 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -135.72 127.42 29.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.912 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -96.71 162.18 13.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.855 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 163.08 -148.52 15.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 73.23 112.49 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.953 HD13 HG21 ' A' ' 85' ' ' VAL . 2.0 tp -127.53 145.67 50.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 72.33 110.889 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -118.63 111.17 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.879 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.35 -175.6 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.837 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -76.84 -29.64 55.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 62.42 110.907 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -4.51 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.907 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.77 26.06 11.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 72.41 112.452 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -69.68 130.06 41.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 74.31 110.878 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -75.36 121.32 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 53.4 110.905 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.0 m -146.18 129.78 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.23 111.136 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.5 m -97.91 116.63 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 64.02 111.123 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.953 HG21 HD13 ' A' ' 75' ' ' LEU . 2.3 m -140.83 156.59 68.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.626 0.727 . . . . 70.45 111.107 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 156.36 63.59 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.743 2.295 . . . . 74.23 112.325 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.62 145.04 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 54.11 111.104 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.475 ' HB2' HG21 ' A' ' 92' ' ' VAL . 5.2 m-20 -57.77 -177.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 74.35 110.841 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -50.96 169.18 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 61.43 110.895 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 t -52.62 -27.54 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.5 111.148 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' HG3' HG23 ' A' ' 92' ' ' VAL . 9.5 pt-20 -53.49 -41.92 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.882 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.653 HG13 HG21 ' A' ' 40' ' ' VAL . 99.6 t -79.32 -48.79 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 65.13 111.129 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.22 -33.18 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.41 111.116 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.11 -36.55 83.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.872 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.684 ' O ' HG23 ' A' ' 99' ' ' THR . 17.5 tpp180 -64.62 -42.9 95.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.875 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.83 -35.19 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 73.51 110.91 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.13 -43.35 98.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -71.32 -36.26 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 70.42 110.922 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 95' ' ' ARG . 76.1 p -67.35 -46.32 73.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 73.15 111.129 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.7 pp -72.37 -35.41 68.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 51.45 110.874 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -68.17 -43.2 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.845 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -72.8 -28.38 62.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -57.53 -41.74 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.922 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -70.39 -32.55 70.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 64.25 110.926 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.92 -48.58 80.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.895 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HG3' HD22 ' A' ' 19' ' ' LEU . 11.5 ptmt -73.8 -32.11 63.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 63.31 110.905 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.744 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -61.62 -35.74 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 71.44 110.908 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -49.16 71.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.938 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.493 ' HA ' HD12 ' A' ' 112' ' ' ILE . 13.9 t0 -56.55 -46.64 80.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.836 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.042 HD22 HD11 ' A' ' 19' ' ' LEU . 7.2 tp -58.55 -51.28 70.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.909 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.881 HD22 HD12 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -61.79 -31.74 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.901 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.6 mt -67.59 -29.98 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 60.41 111.155 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -73.79 -24.94 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 72.35 110.838 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.634 ' HB2' HD23 ' A' ' 116' ' ' LEU . 9.8 ptp -104.77 -2.3 25.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 75.14 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.96 36.53 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 72.05 110.929 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.3 mm? -102.3 115.18 30.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.903 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.32 153.35 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.21 111.074 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.881 HD12 HD22 ' A' ' 111' ' ' LEU . 5.4 tt -129.91 113.69 14.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.948 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -156.22 160.17 30.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 62.22 110.911 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.56 14.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 53.42 112.364 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.3 m -82.28 127.2 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.847 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -14.47 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 74.45 110.864 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -111.39 26.06 11.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 61.33 110.897 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -137.21 142.64 42.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.898 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -179.16 114.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -131.04 -75.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 71.45 110.874 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -175.52 74.48 0.29 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.751 . . . . 64.43 110.9 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.6 38.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 74.53 112.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 29.0 m -54.58 135.42 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 64.15 111.137 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -96.49 97.72 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.858 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.57 -26.91 68.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.934 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.4 t -83.83 58.29 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.05 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 60.25 111.105 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 75.23 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -136.84 159.5 41.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 73.31 111.145 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 9' ' ' LYS . 5.7 mt -74.94 154.43 86.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 75.43 110.891 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -17.21 37.41 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.655 2.237 . . . . 74.44 112.317 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.81 -16.49 58.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 72.04 110.889 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.34 -13.32 33.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 61.03 112.473 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.37 152.75 73.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 72.23 110.804 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.633 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.75 124.48 11.13 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 63.34 112.331 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HA ' HD21 ' A' ' 3' ' ' LEU . 26.7 ttpt -69.87 -50.53 41.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.918 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.79 -42.4 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 63.34 110.84 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.11 -45.52 93.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 74.55 110.9 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.782 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.2 mm? -58.53 -49.12 78.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.913 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.452 HG23 ' HB ' ' A' ' 23' ' ' ILE . 35.2 mm -60.17 -46.13 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 70.14 111.115 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -61.68 -41.45 97.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.867 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.734 ' HB3' HD11 ' A' ' 110' ' ' LEU . 40.7 mtmt -67.73 -49.85 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 74.04 110.871 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.782 ' CE2' HD12 ' A' ' 12' ' ' LEU . 17.1 m-85 -58.9 -24.63 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 64.3 110.876 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.5 m -66.65 -21.68 66.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 61.44 111.096 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.16 -6.85 57.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 64.2 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.048 HD11 HD22 ' A' ' 110' ' ' LEU . 57.6 mt -102.64 4.11 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 54.34 110.883 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.65 -149.72 16.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 72.14 112.5 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.93 20.19 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 73.24 112.313 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -61.8 134.5 56.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.946 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -79.15 143.2 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 63.33 111.146 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -77.77 96.97 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -52.02 151.63 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.908 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.78 159.71 34.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.727 . . . . 73.31 112.46 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.14 -62.23 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 71.14 110.936 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 p -151.6 155.96 39.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 75.35 110.853 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 39.44 41.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 64.24 110.839 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -109.97 96.74 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.881 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -99.92 27.04 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.32 110.859 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.84 160.41 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 62.34 110.881 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -112.19 129.33 56.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.863 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.427 ' O ' HG23 ' A' ' 23' ' ' ILE . 4.8 t80 -93.25 148.51 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 71.04 110.913 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -150.87 117.97 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 64.35 110.894 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -106.89 112.48 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.861 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.82 89.02 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.43 110.886 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.31 90.42 2.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.899 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 40' ' ' VAL . . . -80.02 -54.17 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.113 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.67 HG21 HG13 ' A' ' 92' ' ' VAL . 1.6 m -155.73 139.47 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.03 111.104 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.7 p -68.11 128.93 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.856 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.35 -34.27 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 53.42 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -176.16 146.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.865 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -125.05 24.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.134 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -66.31 -58.23 10.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 63.14 110.865 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.6 Cg_endo -69.81 178.19 4.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 74.45 112.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -58.43 159.86 11.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 63.04 111.09 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.73 -25.48 28.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.64 2.227 . . . . 73.44 112.366 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -63.67 -20.38 65.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 72.32 110.9 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -118.14 17.27 14.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.0 ptt-85 -69.22 143.91 53.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 51.15 110.874 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.754 ' HB3' HD11 ' A' ' 75' ' ' LEU . 7.7 mt-10 -125.91 166.89 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.886 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.415 ' O ' HD12 ' A' ' 75' ' ' LEU . 38.5 m-85 -140.09 151.76 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 65.52 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.605 ' HD1' HG23 ' A' ' 40' ' ' VAL . 15.4 m95 -80.95 159.6 24.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.908 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.2 174.19 27.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.73 . . . . 71.21 112.468 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -118.94 149.66 41.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.744 0.307 . . . . 73.12 110.918 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -89.44 133.34 34.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.41 110.886 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.736 ' CE ' HD22 ' A' ' 60' ' ' LEU . 11.9 ttt -115.32 112.32 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.11 110.894 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.93 113.41 24.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 72.42 110.869 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.736 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -130.26 154.18 47.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 64.2 110.952 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -137.64 110.99 7.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.863 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.91 113.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 70.11 111.129 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -80.84 -174.58 4.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.9 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.53 -54.62 25.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 63.3 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.5 41.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.52 110.906 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.769 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 38.2 mtt85 -157.95 179.86 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.861 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 1.8 m-85 -143.57 144.51 31.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 53.34 110.853 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.7 t -141.43 140.14 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 62.41 111.1 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -129.74 172.65 11.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 73.04 110.921 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -144.78 159.82 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.89 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -116.74 121.34 41.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.917 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -135.76 132.52 36.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 74.11 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -97.07 157.39 15.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 63.32 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.95 -175.42 33.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 75.24 112.45 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 52' ' ' GLU . 17.4 tp -107.6 143.39 36.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 73.03 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.639 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.2 t80 -110.07 102.27 11.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.918 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -78.59 170.1 17.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -26.3 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.872 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.22 -9.82 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.58 15.73 71.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 52.15 112.466 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -85.62 126.36 33.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 71.43 110.879 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -52.47 121.79 7.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.927 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -145.44 106.68 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.145 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 84' ' ' VAL . 18.6 m -84.3 121.95 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 73.13 111.099 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.8 m -131.21 153.36 81.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 72.34 111.155 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 142.33 47.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 62.45 112.391 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.1 mm -93.34 115.59 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 42.25 111.087 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -96.48 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 53.51 110.893 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 63.19 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 52.25 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -54.33 -27.94 39.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 61.25 111.18 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -53.71 -35.1 60.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.856 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.67 HG13 HG21 ' A' ' 40' ' ' VAL . 75.9 t -78.67 -45.65 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 72.43 111.103 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -33.22 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 64.43 111.125 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.0 -36.83 85.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.878 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -69.53 -33.53 72.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 61.32 110.901 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.63 -34.87 72.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 64.13 110.959 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.02 77.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 71.33 110.914 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -71.6 -36.18 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 65.21 110.908 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -46.66 76.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 54.11 111.15 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.2 pp -70.49 -34.71 72.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 64.33 110.899 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -66.7 -49.23 66.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.882 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.12 -28.65 62.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.916 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.63 -39.7 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 74.11 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -69.2 -32.6 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.51 110.897 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.57 -47.55 78.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 64.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.422 ' NZ ' HD23 ' A' ' 107' ' ' LEU . 12.9 pttp -69.41 -32.86 72.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 71.14 110.875 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.74 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.46 -35.63 81.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 74.3 110.913 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -43.4 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.853 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -64.99 -44.18 90.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.048 HD22 HD11 ' A' ' 19' ' ' LEU . 9.8 tp -58.27 -51.12 71.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.12 110.95 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.67 HD11 HD13 ' A' ' 118' ' ' LEU . 72.7 mt -61.74 -32.28 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 70.43 110.909 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 36.7 mt -70.05 -29.9 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.44 111.126 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.4 t -72.04 -26.08 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 71.52 110.847 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.495 ' HB2' HD23 ' A' ' 116' ' ' LEU . 10.9 ptp -101.99 -1.1 32.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 74.1 110.838 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 64.49 34.51 10.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 71.04 110.909 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.2 mm? -102.36 132.59 48.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 62.42 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.769 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -74.91 158.3 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 52.55 111.109 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.67 HD13 HD11 ' A' ' 111' ' ' LEU . 19.5 tp -129.63 137.75 50.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 75.14 110.931 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -155.72 160.41 30.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 71.1 110.917 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.33 14.68 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.687 2.258 . . . . 64.54 112.319 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.6 m -92.91 134.79 34.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.837 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -59.37 -23.22 62.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 73.24 110.889 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -9.27 59.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.839 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -105.21 150.5 25.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.862 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -99.55 -175.75 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 71.13 110.928 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -100.28 82.44 2.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.89 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -160.53 68.58 2.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 75.52 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.89 55.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 64.11 112.366 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 25.1 m -53.86 134.37 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 74.53 111.13 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -90.18 97.52 11.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 65.13 110.868 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.49 -32.33 64.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.904 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 57.0 p -103.8 64.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.893 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 61.51 111.079 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 ttm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.83 0.348 . . . . 70.11 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.4 p -75.89 160.5 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 70.41 111.174 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.56 153.79 81.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 63.22 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -17.27 37.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 73.03 112.323 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -19.21 54.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.856 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.25 -1.2 31.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 60.32 112.478 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.72 150.04 37.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 73.14 110.87 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.566 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.9 Cg_endo -69.71 126.01 12.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 72.02 112.355 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -31.83 70.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.894 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -68.23 -46.86 69.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 43.03 110.83 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -61.97 -32.04 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 74.42 110.828 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.755 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.3 mm? -69.12 -45.97 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.7 -48.84 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 73.14 111.136 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.75 -35.77 81.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.919 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.523 ' HB3' HD11 ' A' ' 110' ' ' LEU . 3.8 mtmm -68.03 -49.64 60.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.907 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.755 ' CE2' HD12 ' A' ' 12' ' ' LEU . 12.9 m-85 -62.55 -24.99 67.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 65.02 110.809 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.7 m -60.94 -21.95 63.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 25.04 111.101 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.1 -7.62 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 65.43 111.106 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.647 HD13 HD22 ' A' ' 107' ' ' LEU . 46.0 mt -104.67 4.14 32.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.919 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.12 -151.0 19.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 51.32 112.467 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.78 20.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 62.34 112.367 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -61.89 122.9 16.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.987 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.432 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.9 mp -69.58 140.12 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 40.21 111.097 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.48 118.81 19.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.851 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -73.63 -51.71 15.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.901 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.64 -179.7 40.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 45.12 112.52 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -115.72 -31.83 5.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 72.23 110.928 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.5 m -87.12 -179.33 6.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -52.84 128.86 28.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.02 78.15 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 72.51 110.829 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.07 -54.75 6.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 61.42 110.913 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -114.82 160.19 19.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 70.53 110.84 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -97.48 153.89 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -143.36 121.07 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -118.06 141.4 48.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 60.13 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -106.88 112.46 25.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 72.33 110.882 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.3 m -106.54 102.63 12.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 34.24 110.889 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.406 HD22 ' HD2' ' A' ' 53' ' ' PHE . 16.8 mt -73.29 89.8 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 61.34 110.885 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.78 -58.72 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 75.45 111.094 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.4 t -129.58 144.38 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.124 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.1 t -88.41 122.83 32.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 45.41 110.878 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.33 -23.1 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.41 111.096 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 67.29 129.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 63.43 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.772 HG22 ' HD2' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -149.86 152.17 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 65.54 111.136 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 23.8 mtpt -56.37 -59.27 12.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 74.43 110.875 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.772 ' HD2' HG22 ' A' ' 44' ' ' VAL . 53.7 Cg_endo -69.72 -169.04 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.648 2.232 . . . . 64.3 112.363 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -55.36 157.5 6.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.721 . . . . 63.31 111.052 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.78 -32.64 18.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 42.12 112.321 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.52 -19.12 64.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.849 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -84.02 -13.28 53.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.889 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -121.4 154.96 35.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.875 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB2' HD11 ' A' ' 75' ' ' LEU . 4.2 mp0 -94.41 167.27 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 63.52 110.848 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HD2' HD22 ' A' ' 38' ' ' LEU . 11.2 m-85 -121.37 165.94 14.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.499 ' CZ3' HD13 ' A' ' 87' ' ' ILE . 18.4 m95 -82.06 136.38 35.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.23 126.9 1.03 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 71.4 112.501 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -88.65 125.8 35.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.8 0.334 . . . . 75.41 110.901 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -84.18 156.66 21.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.943 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.433 ' SD ' HD23 ' A' ' 60' ' ' LEU . 4.0 tmm? -128.02 121.07 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 71.14 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.04 116.94 30.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.867 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD23 ' SD ' ' A' ' 58' ' ' MET . 1.5 pp -130.33 159.91 35.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 61.43 110.929 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -130.96 111.97 12.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.877 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.93 135.72 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 62.43 111.063 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.44 -173.83 2.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.945 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -53.33 -57.74 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 71.52 110.921 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 26.96 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.929 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.728 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 26.0 mtm180 -147.34 169.96 18.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.606 ' HZ ' HD11 ' A' ' 12' ' ' LEU . 1.7 m-85 -126.71 163.07 24.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.865 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -140.0 164.7 29.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 73.52 111.135 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -158.51 143.54 16.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 75.44 110.925 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.81 160.47 35.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.859 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -100.7 113.57 26.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.947 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -135.48 116.8 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.42 110.918 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' HG11 ' A' ' 129' ' ' VAL . 26.1 m-85 -92.04 151.46 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.21 110.885 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -175.37 -146.65 5.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 62.52 112.496 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 85' ' ' VAL . 4.1 tt -145.41 143.6 30.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 64.15 110.916 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -105.22 115.26 29.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.904 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.59 -178.99 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.901 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -81.43 -24.21 37.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 65.2 110.924 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.42 -10.21 44.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 60.53 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.4 13.91 68.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 73.14 112.493 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.73 148.82 25.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 43.03 110.888 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -54.84 129.42 37.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -145.25 108.48 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 65.32 111.145 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 84' ' ' VAL . 17.3 m -84.97 119.91 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 53.24 111.148 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 75' ' ' LEU . 7.7 p -148.44 133.51 9.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.695 0.76 . . . . 64.24 111.12 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.71 141.69 46.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 74.23 112.38 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.499 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 28.8 mm -73.53 151.19 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 64.32 111.136 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.72 -173.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.926 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.96 169.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.947 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -52.42 -27.52 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 71.24 111.155 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -53.45 -42.48 67.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.904 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.7 t -79.97 -48.64 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 75.22 111.145 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.34 -33.04 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 71.3 111.167 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.01 -35.58 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 51.13 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -38.98 79.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.9 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.87 -34.93 72.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.34 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -56.65 -36.97 70.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 61.42 110.879 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -68.15 -51.19 48.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 65.44 110.919 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.1 p -63.45 -25.49 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 62.43 111.112 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.606 HD13 ' N ' ' A' ' 101' ' ' ARG . 0.9 OUTLIER -62.19 -54.64 38.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 63.51 110.9 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.606 ' N ' HD13 ' A' ' 100' ' ' LEU . 14.0 tpp180 -71.03 -42.09 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.855 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.99 -29.33 63.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.854 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -68.99 -40.06 79.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 73.01 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -70.33 -32.75 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.815 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -48.47 81.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 54.23 110.903 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.536 ' HG3' HD22 ' A' ' 19' ' ' LEU . 10.8 ptmt -73.74 -31.58 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.894 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.647 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -58.63 -35.67 72.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 61.2 110.853 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -62.14 -46.51 88.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.881 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.48 -46.32 80.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.84 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.639 HD22 ' CD1' ' A' ' 19' ' ' LEU . 10.5 tp -58.51 -51.39 70.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.903 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.773 HD21 HD13 ' A' ' 118' ' ' LEU . 5.6 mp -61.62 -32.06 72.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.937 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.0 mt -68.59 -30.05 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.4 111.1 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 t -73.26 -24.47 60.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.865 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.2 ptp -104.26 -2.02 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 73.24 110.886 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 63.81 34.86 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -102.92 121.44 42.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.909 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.728 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -69.38 159.54 32.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 70.31 111.139 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.773 HD13 HD21 ' A' ' 111' ' ' LEU . 19.1 tp -128.91 139.93 51.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 73.32 110.926 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -145.36 160.48 45.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 72.23 110.902 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 171.35 14.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 71.02 112.346 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.7 m -99.93 147.69 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 71.13 110.827 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -67.89 -23.01 65.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 74.54 110.911 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -95.77 26.44 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 64.55 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -91.02 121.67 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 71.52 110.882 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.49 -176.94 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.938 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.12 25.61 11.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.876 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -134.2 70.0 73.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 74.03 110.872 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 159.05 54.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.646 2.231 . . . . 62.0 112.371 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 131' ' ' LEU . 4.9 m -54.19 141.46 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 63.54 111.077 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -73.96 97.32 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.944 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 129' ' ' VAL . 4.3 mm? -73.7 -35.97 65.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 63.34 110.902 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.0 t -102.31 65.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 70.1 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.14 111.076 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.2 mmm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 64.21 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p -136.91 159.27 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 73.4 111.167 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.72 153.99 95.13 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 74.12 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -23.89 30.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 24.2 112.315 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 p -71.12 -16.62 62.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.884 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.47 -8.09 32.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 71.13 112.537 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 153.09 61.33 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.586 0.708 . . . . 64.24 110.912 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.641 ' O ' HD23 ' A' ' 12' ' ' LEU . 54.4 Cg_endo -69.69 123.78 10.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.735 2.29 . . . . 73.04 112.361 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -71.17 -54.31 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 74.11 110.849 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.4 m -54.14 -43.23 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.84 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -62.0 -47.42 84.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 64.23 110.86 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.809 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.7 mm? -58.92 -43.98 91.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.852 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -59.52 -48.49 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.34 111.13 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -34.17 76.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.962 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -68.31 -52.53 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.894 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.809 ' CE2' HD12 ' A' ' 12' ' ' LEU . 15.0 m-85 -59.09 -25.95 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.864 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.1 m -60.64 -21.93 63.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 52.32 111.124 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 -8.09 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.51 111.056 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.684 HD11 HD22 ' A' ' 110' ' ' LEU . 18.5 mt -104.88 3.86 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.883 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.46 -150.7 16.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 64.34 112.466 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.1 22.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 74.05 112.349 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.88 121.28 13.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.9 mp -67.32 140.93 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 74.5 111.139 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -77.96 93.62 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -93.26 141.43 28.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.912 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.76 -147.32 17.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 61.45 112.487 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -53.77 -33.73 56.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 72.11 110.901 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.0 m -52.49 -48.24 66.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 75.52 110.855 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -84.95 116.96 23.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.5 110.86 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -98.67 -64.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -127.8 -55.46 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.901 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -98.27 138.27 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 62.31 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -61.31 145.58 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 61.54 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -130.94 113.85 14.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 61.22 110.872 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.03 133.1 56.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 64.31 110.841 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.95 112.32 25.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 33.15 110.896 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -106.76 130.26 54.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 51.25 110.855 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.31 131.48 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.917 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 54' ' ' TRP . . . -107.06 -64.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.3 111.1 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -150.32 133.49 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 55.15 111.078 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.2 m -67.64 118.55 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 74.55 110.866 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG12 ' OD1' ' A' ' 43' ' ' ASN . 44.7 t -53.28 -36.9 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 64.42 111.115 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.484 ' OD1' HG12 ' A' ' 42' ' ' VAL . 22.1 m120 -153.99 140.35 18.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 71.45 110.932 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.4 p -116.26 -21.43 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.117 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.64 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 8.7 mtpt -66.43 -52.01 39.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 71.21 110.908 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.2 Cg_endo -69.71 163.72 37.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 74.13 112.344 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.81 160.1 1.18 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 74.21 111.098 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 -28.62 24.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 61.04 112.313 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -80.24 -1.77 42.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 72.53 110.904 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -115.77 -14.06 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.887 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -91.53 159.59 15.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.4 110.823 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.719 ' HB3' HD11 ' A' ' 75' ' ' LEU . 79.1 mt-10 -130.3 166.98 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -126.48 140.17 52.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 54.3 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . 23.5 m95 -80.96 157.9 25.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 75.22 110.92 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.29 177.54 38.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.799 -0.715 . . . . 72.22 112.477 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -130.22 115.82 17.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 74.03 110.893 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -59.01 120.81 9.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.913 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.455 ' HE3' HD22 ' A' ' 60' ' ' LEU . 3.3 ttt -93.07 112.07 23.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 70.31 110.858 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.8 113.52 25.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 64.03 110.887 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.533 HD13 ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -134.57 159.49 41.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 50.23 110.927 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -133.37 111.59 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.892 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . . . -68.83 116.25 9.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 64.21 111.112 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.4 -172.28 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.911 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -52.66 -52.4 55.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 55.34 110.909 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.69 25.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -139.58 145.93 39.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.1 110.838 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -120.37 138.19 53.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.906 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.6 t -121.93 164.27 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.4 111.158 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.533 ' CE1' HD13 ' A' ' 60' ' ' LEU . 87.2 m-85 -151.8 161.22 43.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.933 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -148.09 160.87 42.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.877 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -110.61 114.83 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.915 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -135.79 130.35 33.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -91.9 164.34 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 72.05 110.887 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.07 -173.79 42.94 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 40.02 112.495 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -109.15 131.41 55.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 73.3 110.91 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.639 ' N ' HD13 ' A' ' 75' ' ' LEU . 11.8 t80 -107.03 95.25 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.893 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -72.0 175.76 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 44.31 110.862 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -75.81 -29.19 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 55.35 110.914 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.89 -9.85 41.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.884 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.91 19.5 28.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 64.41 112.481 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.79 140.23 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 75.12 110.886 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 47.4 p90 -95.3 122.48 38.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.4 m -145.73 137.11 24.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.22 111.154 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.0 m -98.0 116.08 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 75.22 111.098 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.495 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.7 OUTLIER -139.88 158.2 68.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 73.44 111.133 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.52 60.05 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 70.13 112.344 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.443 HG21 HG23 ' A' ' 93' ' ' VAL . 47.6 mm -92.24 146.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 45.11 111.165 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -58.49 -174.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.02 110.878 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -50.42 167.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 t -53.57 -27.54 26.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.129 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HG3' HG23 ' A' ' 92' ' ' VAL . 19.9 pt-20 -53.56 -42.27 67.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 54.44 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.411 HG23 ' HG3' ' A' ' 91' ' ' GLU . 90.6 t -79.69 -48.71 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.54 111.15 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.443 HG23 HG21 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -51.23 -33.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 71.11 111.128 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.21 -36.31 81.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 53.34 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.581 ' O ' HG23 ' A' ' 99' ' ' THR . 16.6 tpp180 -73.01 -31.91 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.86 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.94 -34.84 73.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HA ' HD23 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -68.61 -40.95 80.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.856 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -71.65 -36.24 70.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 63.24 110.953 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 95' ' ' ARG . 29.8 p -65.65 -46.47 79.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 73.52 111.115 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.9 OUTLIER -67.03 -34.15 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.94 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -68.57 -44.17 74.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 71.43 110.899 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.62 -29.26 63.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.32 110.892 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -58.28 -40.93 83.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.895 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.526 ' NE2' HD21 ' A' ' 118' ' ' LEU . 23.8 t-80 -70.28 -32.57 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 74.14 110.808 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.76 -48.8 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 52.11 110.923 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -74.06 -32.15 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 62.33 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.14 -35.72 82.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.915 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.536 ' HG3' HD22 ' A' ' 118' ' ' LEU . 22.0 ttp180 -62.72 -44.02 97.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.929 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.515 ' HA ' HD12 ' A' ' 112' ' ' ILE . 11.7 t0 -55.72 -46.79 77.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 74.34 110.893 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 19' ' ' LEU . 32.2 tp -58.86 -50.0 75.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.918 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.527 ' CD2' HD13 ' A' ' 118' ' ' LEU . 6.9 mp -63.73 -36.23 83.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 75.2 110.875 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.3 mt -60.94 -39.13 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 73.53 111.141 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -22.03 60.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.86 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.3 mtm -95.23 -7.85 37.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.869 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 63.47 41.71 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.857 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -103.47 137.63 41.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 62.01 110.905 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.27 138.12 57.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.41 111.084 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.536 HD22 ' HG3' ' A' ' 108' ' ' ARG . 5.6 tp -129.55 133.15 47.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 71.43 110.935 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -146.59 159.95 42.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.677 0.751 . . . . 64.32 110.861 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.27 14.76 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.658 2.239 . . . . 51.15 112.327 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.1 m -73.55 138.33 44.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.799 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.48 -22.42 54.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 65.35 110.835 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.68 25.86 4.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.816 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -93.27 107.66 19.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.873 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -93.28 -175.71 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 71.02 110.849 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.79 54.04 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 62.54 110.877 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -164.02 68.25 1.56 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.677 0.751 . . . . 71.53 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 159.13 54.55 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.687 2.258 . . . . 65.03 112.378 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.702 HG23 HD21 ' A' ' 131' ' ' LEU . 7.0 m -53.77 124.27 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.02 111.121 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -66.97 97.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.13 110.902 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.702 HD21 HG23 ' A' ' 129' ' ' VAL . 5.7 mt -73.7 -30.84 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 70.42 110.934 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.4 m -105.39 45.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.847 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 64.0 111.114 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.859 0.361 . . . . 64.11 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.8 p -119.84 159.76 23.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 74.04 111.112 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.35 153.9 91.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 55.13 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -22.54 31.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 73.02 112.325 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.457 ' OG ' ' HB3' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -72.04 -18.53 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.45 110.889 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.35 1.06 31.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.745 . . . . 22.12 112.485 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.52 153.07 40.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 52.32 110.853 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.621 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.3 Cg_endo -69.8 125.04 11.67 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.277 . . . . 70.3 112.325 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -69.5 -50.56 44.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 63.02 110.872 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -54.71 -43.7 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 73.21 110.871 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -62.05 -45.72 92.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.864 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.793 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.0 mm? -58.61 -48.31 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 61.05 110.898 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.78 -43.43 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 64.52 111.141 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -67.98 -41.68 81.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.929 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.807 ' HB3' HD11 ' A' ' 110' ' ' LEU . 5.9 mttm -65.46 -47.88 74.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.25 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.793 ' CE2' HD12 ' A' ' 12' ' ' LEU . 15.6 m-85 -58.79 -26.03 63.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.0 m -62.76 -21.38 65.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 71.15 111.128 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.18 -7.3 58.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 64.32 111.088 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.874 HD11 HD22 ' A' ' 110' ' ' LEU . 60.0 mt -104.37 4.23 33.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.05 110.928 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.52 -149.39 16.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 52.42 112.505 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 168.91 20.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.256 . . . . 74.14 112.336 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -61.92 122.11 14.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.959 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.6 mp -68.06 140.77 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 61.33 111.145 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -86.38 120.59 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.859 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -51.22 -65.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 71.34 110.912 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.83 18.08 14.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.72 . . . . 25.41 112.526 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 39.42 41.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.75 0.31 . . . . 75.32 110.905 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -142.57 157.51 44.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.55 110.866 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -111.48 -37.53 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.899 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -112.72 89.31 3.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 73.02 110.901 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -163.3 -177.03 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -98.07 160.24 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.817 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -79.41 135.97 36.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -120.26 123.28 42.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 73.35 110.882 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -120.04 133.1 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -106.8 112.41 25.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 75.12 110.864 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 m -106.72 133.82 50.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.663 HD13 ' CD2' ' A' ' 53' ' ' PHE . 9.6 mt -110.57 97.98 7.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 64.1 110.935 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.3 -71.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 63.33 111.088 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.702 HG21 HG13 ' A' ' 92' ' ' VAL . 1.2 m -125.86 144.0 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 72.53 111.147 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.7 p -84.87 128.2 34.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 72.35 110.854 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.92 -33.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 74.43 111.07 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -130.1 108.58 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 75.31 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.703 HG23 ' CZ ' ' A' ' 51' ' ' ARG . 10.1 p -121.84 -7.54 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.21 111.15 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.519 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 8.2 mtmm -66.38 -58.04 11.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 72.22 110.892 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.9 Cg_endo -69.72 177.46 5.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 54.24 112.351 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.43 160.28 1.01 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 34.31 111.094 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.71 -23.36 31.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 73.41 112.364 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.79 -24.69 67.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -109.86 16.94 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 60.52 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.703 ' CZ ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -70.74 146.07 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.906 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -137.09 139.36 41.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 63.14 110.915 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.663 ' CD2' HD13 ' A' ' 38' ' ' LEU . 26.4 m-85 -121.74 146.1 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.903 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.583 ' HD1' HG23 ' A' ' 40' ' ' VAL . 78.7 m95 -81.56 128.62 34.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 61.54 110.923 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -153.68 168.78 32.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 70.2 112.457 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 11.7 p-90 -115.49 155.03 28.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.732 0.301 . . . . 74.42 110.944 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -104.95 116.28 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 74.44 110.874 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.5 ttt -108.21 112.74 25.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 62.41 110.908 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -112.75 118.5 35.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 72.12 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD12 ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -130.58 155.71 46.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 72.15 110.918 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -137.73 115.92 11.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.854 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.457 ' HB3' ' OG ' ' A' ' 5' ' ' SER . . . -51.22 141.04 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 64.13 111.092 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -170.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 75.4 110.872 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.06 -51.45 69.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.915 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -143.6 25.4 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.928 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.648 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 32.0 mtt180 -146.81 171.26 15.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.837 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.702 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -136.68 136.4 39.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 70.2 110.92 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -105.17 164.67 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 42.24 111.141 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -156.96 143.38 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.931 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -147.57 160.58 42.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 71.3 110.881 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -133.06 133.63 43.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.929 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -130.22 145.76 51.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 64.23 110.918 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -91.84 146.41 23.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.06 -144.06 7.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 43.21 112.486 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 85' ' ' VAL . 9.6 tt -145.35 145.9 31.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 73.25 110.96 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.414 ' N ' HD23 ' A' ' 75' ' ' LEU . 72.2 t80 -121.38 120.44 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.879 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -97.74 -176.44 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.866 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -77.57 -23.57 49.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 73.35 110.955 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -78.23 -9.7 59.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.42 21.35 77.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 34.44 112.509 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -91.64 121.46 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 74.42 110.881 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -63.0 122.66 16.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 64.53 110.925 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.9 m -142.36 121.4 12.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 71.12 111.143 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.01 131.4 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 61.2 111.142 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 75' ' ' LEU . 21.1 t -145.0 132.76 10.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 72.14 111.107 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.57 48.23 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 65.12 112.345 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.568 HG21 HG23 ' A' ' 93' ' ' VAL . 45.9 mm -92.41 118.64 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 74.21 111.195 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.45 152.88 18.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 64.14 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 63.86 105.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.861 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.1 t -52.93 -28.85 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.11 111.142 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.86 -38.04 64.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.914 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.702 HG13 HG21 ' A' ' 40' ' ' VAL . 92.1 t -78.66 -47.05 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.114 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.568 HG23 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -51.76 -32.89 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 42.34 111.161 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.87 -34.52 77.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 64.4 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -34.63 63.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 72.51 110.887 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.5 -41.09 73.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.936 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.724 ' HA ' HD23 ' A' ' 100' ' ' LEU . 25.5 pt-20 -69.1 -32.69 72.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.911 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -71.68 -36.4 70.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 61.14 110.873 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -46.41 80.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 75.13 111.143 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.724 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -59.07 -34.2 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.892 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.468 ' HD3' HD22 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -69.76 -49.01 57.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.912 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -65.36 -29.5 70.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 45.01 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -66.61 -34.57 78.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.908 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -46.41 67.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.4 110.875 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.88 -47.91 81.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.574 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -63.18 -32.19 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 75.35 110.894 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.476 HD12 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -70.89 -34.38 71.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 52.34 110.902 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -42.77 64.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 53.44 110.885 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.78 -35.81 81.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.83 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.874 HD22 HD11 ' A' ' 19' ' ' LEU . 6.2 tp -70.84 -51.02 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 64.43 110.882 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.483 HD12 HD11 ' A' ' 118' ' ' LEU . 59.1 mt -64.03 -41.28 97.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 62.24 110.93 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 30.9 mt -61.2 -36.12 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.12 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.6 t -67.86 -22.92 65.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 73.21 110.885 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 28.4 mtm -95.74 2.73 54.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.895 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 63.5 43.31 5.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.13 161.35 15.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.903 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.648 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -111.56 159.53 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 62.53 111.127 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.483 HD11 HD12 ' A' ' 111' ' ' LEU . 9.1 mt -120.95 142.61 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 54.42 110.938 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -137.33 160.6 64.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 51.5 110.923 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 171.28 14.66 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.757 2.304 . . . . 74.34 112.354 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -101.92 158.27 16.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 71.11 110.879 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.04 -16.66 52.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 54.54 110.865 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -95.45 25.35 4.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.858 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -111.09 107.55 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 64.1 110.911 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -89.63 -74.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.03 110.906 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.65 -172.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 56.91 68.29 2.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 71.33 110.891 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 158.99 55.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.272 . . . . 54.04 112.354 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.3 m -54.33 128.46 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.21 111.133 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -79.61 97.39 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 63.22 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.468 HD22 ' HD3' ' A' ' 101' ' ' ARG . 3.4 mp -73.74 -35.3 65.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 74.14 110.916 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.2 m -98.68 50.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.837 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 63.24 111.132 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.868 0.366 . . . . 45.32 110.919 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -96.12 161.08 14.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 53.45 111.068 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.547 HD21 ' HD3' ' A' ' 9' ' ' LYS . 21.1 mt -63.37 153.52 82.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 73.11 110.909 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.17 37.92 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 61.32 112.383 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.84 -18.59 60.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.845 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.41 4.29 30.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 63.33 112.467 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.85 138.0 22.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 70.5 110.811 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 125.87 12.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 73.31 112.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HD3' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -68.88 -41.33 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.919 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.2 t -57.86 -30.36 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 74.1 110.846 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -77.88 -49.15 14.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 61.11 110.874 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.821 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 3.8 mm? -58.38 -46.6 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 64.53 110.974 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.614 HG23 ' HB ' ' A' ' 23' ' ' ILE . 37.3 mm -61.76 -33.1 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 62.14 111.133 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -68.8 -49.4 58.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.884 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.688 ' HD2' HD13 ' A' ' 12' ' ' LEU . 3.0 ptpt -66.71 -42.08 86.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 70.12 110.925 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.821 ' CZ ' HD12 ' A' ' 12' ' ' LEU . 15.1 m-85 -62.33 -21.31 65.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.1 m -74.91 -21.51 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 64.21 111.127 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.72 -7.42 58.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 73.13 111.105 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.986 HD11 HD22 ' A' ' 110' ' ' LEU . 10.2 mt -104.3 4.18 33.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 65.11 110.911 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.8 -153.27 20.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 61.32 112.492 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 168.93 20.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 72.3 112.33 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.89 134.63 56.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.963 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.614 ' HB ' HG23 ' A' ' 13' ' ' ILE . 4.9 mp -80.21 143.87 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 74.14 111.143 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.1 ttt-85 -81.25 93.85 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 65.31 110.855 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -53.13 171.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 62.24 110.879 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.58 144.47 11.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 75.02 112.478 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -120.93 51.17 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.744 0.306 . . . . 72.02 110.926 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 83.7 m -125.84 -174.95 3.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.922 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -54.19 173.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.54 110.897 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.45 120.86 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 62.35 110.871 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -141.91 -177.27 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 55.24 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -101.74 160.4 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.5 110.836 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -68.17 156.11 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 64.05 110.879 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -128.17 145.39 51.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.845 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -147.98 134.29 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.874 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.73 113.16 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 61.32 110.851 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 t -99.05 125.31 44.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 70.23 110.893 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 mt -109.52 130.88 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 73.24 110.917 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.61 -49.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 45.43 111.119 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.658 HG21 HG13 ' A' ' 92' ' ' VAL . 3.2 m -154.01 153.18 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.108 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.5 t -90.6 142.82 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 71.13 110.899 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 52' ' ' GLU . 7.0 p -81.18 -32.78 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.51 111.139 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -171.87 138.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 34.54 110.903 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.51 21.3 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 50.22 111.112 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.519 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -66.76 -58.43 9.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 62.33 110.899 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.69 -175.96 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 64.11 112.358 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -64.32 160.05 53.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 64.51 111.057 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.8 -35.01 13.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 71.4 112.364 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.05 -25.5 65.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.32 110.873 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -110.49 17.09 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 74.55 110.87 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -78.79 148.55 32.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 42' ' ' VAL . 39.0 mt-10 -110.69 146.85 35.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.853 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' O ' HD12 ' A' ' 75' ' ' LEU . 11.3 m-85 -133.07 148.63 52.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 64.12 110.902 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.576 ' HD1' HG23 ' A' ' 40' ' ' VAL . 67.4 m95 -80.65 146.33 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.883 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . 179.02 -139.69 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 55.31 112.442 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.3 p-90 -175.69 126.43 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 73.41 110.904 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 18.1 p90 -84.99 143.94 28.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' HD22 ' A' ' 60' ' ' LEU . 2.4 tmm? -125.55 112.96 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 72.25 110.904 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -113.35 116.52 29.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.849 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD22 ' SD ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -130.68 159.45 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.912 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -135.63 111.62 9.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.857 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 3' ' ' LEU . . . -52.48 117.5 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 43.44 111.129 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.94 -169.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.937 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -51.71 -54.13 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.904 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 26.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.12 110.934 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.792 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 18.1 mtt180 -145.0 161.21 39.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.881 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -120.8 156.81 31.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -141.07 158.77 43.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 65.04 111.126 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CE1' HD11 ' A' ' 118' ' ' LEU . 1.9 p90 -158.48 169.16 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.878 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 151.91 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 72.02 110.897 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -113.02 116.43 29.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.943 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -132.08 146.53 52.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 61.24 110.919 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -94.85 148.25 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 70.43 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.76 -146.27 5.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 74.21 112.448 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 53' ' ' PHE . 35.8 tp -144.8 145.86 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 71.11 110.93 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -99.98 98.84 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 64.02 110.907 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -78.74 175.89 10.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.863 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -25.38 44.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 54.33 110.905 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -87.12 -9.65 54.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.65 18.67 74.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 63.01 112.506 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -95.84 135.0 38.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 75.42 110.892 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -52.56 126.05 18.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.946 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -137.3 106.39 6.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 64.4 111.147 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 84' ' ' VAL . 12.4 m -64.4 114.98 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 64.54 111.12 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.424 HG23 ' HD2' ' A' ' 86' ' ' PRO . 7.3 p -148.26 133.17 9.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 43.14 111.172 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 85' ' ' VAL . 54.3 Cg_endo -69.68 150.83 69.22 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 74.32 112.388 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.3 mm -96.7 122.22 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 61.33 111.14 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -96.36 155.42 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.52 110.839 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 62.93 105.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 72.4 110.91 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -52.58 -28.76 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 61.45 111.159 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.92 -34.93 61.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.899 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.658 HG13 HG21 ' A' ' 40' ' ' VAL . 84.1 t -79.89 -33.64 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 70.14 111.083 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.71 -34.58 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.52 111.115 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.14 -29.14 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 99' ' ' THR . 18.7 tpp180 -74.6 -43.07 57.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.897 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.446 HD11 ' HA2' ' A' ' 55' ' ' GLY . 4.2 mm? -68.94 -34.88 76.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.575 ' HG2' HG11 ' A' ' 129' ' ' VAL . 44.0 mt-10 -56.7 -41.45 77.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.89 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -71.85 -37.22 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.935 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 95' ' ' ARG . 23.8 p -66.31 -46.6 76.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 74.54 111.178 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 100' ' ' LEU . 1.8 pp -71.97 -35.44 69.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.931 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -67.76 -42.35 81.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.4 110.85 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -72.75 -32.49 65.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.874 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.403 ' HE1' HD23 ' A' ' 107' ' ' LEU . 4.8 t80 -61.02 -35.39 76.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.908 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.26 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 72.43 110.872 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.7 -47.76 79.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 61.24 110.847 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -32.63 69.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 60.1 110.904 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.686 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.31 -35.6 80.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 61.4 110.884 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.505 ' HD3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -65.68 -39.29 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.902 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -57.87 -46.87 84.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.892 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.986 HD22 HD11 ' A' ' 19' ' ' LEU . 52.2 tp -58.7 -51.23 70.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.34 110.903 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 118' ' ' LEU . 6.3 mp -59.8 -31.56 69.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 73.55 110.89 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.505 HD11 ' HD3' ' A' ' 108' ' ' ARG . 26.7 mt -70.89 -29.8 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 53.51 111.105 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 t -73.61 -26.4 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 62.34 110.885 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.479 ' HB2' HD23 ' A' ' 116' ' ' LEU . 12.5 ptp -98.69 -1.34 40.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 71.04 110.923 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 64.0 35.13 10.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.479 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.2 mm? -102.08 113.89 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 65.54 110.923 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.792 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -59.44 148.81 31.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 62.22 111.124 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.679 ' HB2' HD23 ' A' ' 111' ' ' LEU . 2.6 tt -129.72 141.69 50.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -147.48 160.3 39.33 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.668 0.747 . . . . 43.04 110.885 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.37 14.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.239 . . . . 43.33 112.359 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 m -75.34 147.61 39.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 21.34 110.871 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -69.25 -18.82 63.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 62.22 110.847 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.67 26.57 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.851 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.94 138.74 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.874 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -98.03 -179.19 4.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 65.2 110.894 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -94.58 65.7 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 61.41 110.864 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -150.74 67.94 8.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 75.31 110.916 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 158.78 55.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 74.43 112.345 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.66 ' O ' HD12 ' A' ' 131' ' ' LEU . 38.0 t -62.13 117.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 71.03 111.122 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -69.45 97.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.4 110.932 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 129' ' ' VAL . 4.8 mp -73.76 -28.2 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 52.32 110.928 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 t -85.68 61.97 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.852 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.25 111.12 179.875 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.859 0.362 . . . . 73.02 110.845 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.6 p -100.91 159.44 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 65.13 111.128 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.93 153.55 88.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.608 0.718 . . . . 51.02 110.934 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.27 31.0 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.717 2.278 . . . . 73.33 112.312 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -17.64 62.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.865 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.39 -4.8 31.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 41.24 112.504 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 150.57 44.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.571 0.7 . . . . 75.24 110.873 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.655 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.5 Cg_endo -69.78 124.19 10.83 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.639 2.226 . . . . 64.1 112.338 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -70.63 -46.52 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.863 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -53.91 -46.97 71.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 44.52 110.849 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -62.28 -48.57 79.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 63.41 110.851 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.77 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.6 mm? -59.12 -49.02 79.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.31 110.94 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.7 mm -57.37 -45.53 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 71.12 111.123 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -37.54 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.896 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.715 ' HB3' HD11 ' A' ' 110' ' ' LEU . 5.6 mtpp -67.08 -51.45 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 50.12 110.952 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.77 ' CE2' HD12 ' A' ' 12' ' ' LEU . 25.7 m-85 -58.54 -26.65 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.894 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.0 m -63.14 -21.35 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.3 111.145 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -7.9 58.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 54.41 111.121 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.005 HD11 HD22 ' A' ' 110' ' ' LEU . 21.4 mt -105.01 4.27 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 61.21 110.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.97 -151.71 19.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 53.23 112.516 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.98 20.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 73.42 112.378 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -61.76 127.02 29.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.923 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.6 mp -74.89 141.91 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.34 111.094 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -87.57 115.91 25.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.52 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.35 -58.23 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.899 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.32 -133.0 11.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 51.35 112.456 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -139.16 -176.38 4.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 74.34 110.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 m -66.51 -170.96 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.86 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 59.6 95.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 33.03 110.891 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 56.06 83.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 61.53 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -66.38 98.73 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.54 110.885 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -98.61 152.11 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.864 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -96.75 139.59 32.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.899 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 23' ' ' ILE . 9.8 t80 -116.87 141.15 48.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.9 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -134.29 136.37 43.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.87 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -106.77 112.74 25.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 62.21 110.859 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.8 t -94.26 120.39 34.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.925 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.1 mt -109.77 123.26 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 73.13 110.93 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 40' ' ' VAL . . . -131.01 -47.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 63.03 111.09 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG21 HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -156.9 157.0 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 62.24 111.118 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.93 133.54 33.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 61.52 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.761 HG22 ' CE2' ' A' ' 54' ' ' TRP . 20.9 t -66.53 -48.65 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.31 111.121 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -167.45 131.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 65.14 110.904 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -96.08 26.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 64.51 111.13 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.526 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.7 mtpm? -66.86 -58.38 9.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.556 0.693 . . . . 64.15 110.908 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.0 Cg_endo -69.76 179.32 3.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 51.32 112.358 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.549 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -52.35 160.01 1.42 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 70.35 111.101 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.549 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 -31.09 21.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 55.52 112.322 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -71.16 -25.62 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.91 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -98.86 17.07 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 74.24 110.915 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -56.65 142.4 39.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 64.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -118.27 132.72 56.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.868 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.46 160.09 21.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.31 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.761 ' CE2' HG22 ' A' ' 42' ' ' VAL . 45.1 m95 -93.52 149.89 20.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.935 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.43 -145.93 7.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.729 . . . . 63.14 112.52 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -166.41 119.76 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.321 . . . . 74.34 110.916 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -74.8 151.03 39.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.907 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.49 ' CE ' HD22 ' A' ' 60' ' ' LEU . 21.7 ttp -145.72 117.21 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.848 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -110.38 114.04 27.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 51.43 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.49 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -118.42 159.41 23.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.912 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -136.69 117.93 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.875 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.61 148.27 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.31 111.1 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.26 -176.88 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.933 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -52.04 -51.69 55.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.905 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.9 30.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.925 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.753 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 55.3 mtt180 -155.24 176.95 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 71.22 110.888 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.96 150.7 51.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -141.04 157.17 45.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 73.11 111.149 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -153.71 167.13 30.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 74.31 110.969 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -132.24 160.53 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.86 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -106.08 106.47 17.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -134.51 125.87 28.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 72.23 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -91.85 165.01 13.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 70.45 110.928 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.6 -143.61 6.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 73.13 112.5 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.816 HD13 HG11 ' A' ' 85' ' ' VAL . 3.1 tt -145.44 145.56 31.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 74.35 110.917 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -105.9 105.62 15.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 44.5 110.889 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.54 178.26 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 71.21 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -30.03 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.883 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -105.36 -9.74 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.43 110.92 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.88 18.66 79.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 70.44 112.485 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.38 141.0 47.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 63.4 110.913 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -52.2 122.53 8.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.877 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.3 m -145.14 106.34 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.04 111.172 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 84' ' ' VAL . 13.0 m -66.7 114.28 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 74.43 111.105 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.816 HG11 HD13 ' A' ' 75' ' ' LEU . 7.4 p -148.38 133.73 9.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 52.21 111.144 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.8 149.38 66.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 72.54 112.335 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.514 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 36.3 mm -84.01 148.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.114 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -173.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.3 110.891 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -50.2 167.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.892 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -52.88 -27.77 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.167 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -53.67 -42.11 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 54.5 110.865 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.645 HG13 HG21 ' A' ' 40' ' ' VAL . 91.4 t -79.53 -48.75 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 51.31 111.101 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.28 -33.22 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.22 111.152 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -63.02 -35.99 82.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 99' ' ' THR . 21.2 tpp180 -68.45 -40.11 81.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 70.3 110.867 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.72 -34.91 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.94 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.795 ' HA ' HD23 ' A' ' 100' ' ' LEU . 4.8 tm-20 -59.38 -37.98 79.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.885 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -70.97 -33.81 70.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.935 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 95' ' ' ARG . 30.1 p -74.4 -30.78 62.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 63.44 111.169 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.795 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.4 OUTLIER -73.17 -37.79 66.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 63.13 110.913 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 15.8 ptm180 -72.39 -38.0 68.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.05 110.845 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.55 -38.17 68.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.896 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.96 -35.83 77.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.841 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -40.97 73.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.862 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.38 -47.06 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 55.32 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -33.08 70.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.23 110.873 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -34.83 70.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 55.1 110.932 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -38.84 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 51.11 110.872 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.1 -36.32 82.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.861 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 1.005 HD22 HD11 ' A' ' 19' ' ' LEU . 5.7 tp -66.6 -51.12 59.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.878 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' A' ' 118' ' ' LEU . 6.7 mp -62.92 -35.17 79.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 54.1 110.886 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.64 -30.38 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.4 111.16 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.5 t -73.69 -23.87 59.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 55.42 110.859 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 32.6 mtm -99.35 1.75 44.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 62.35 110.887 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 63.56 33.44 13.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 52.54 110.882 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.35 136.04 44.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 52.35 110.932 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.753 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -82.7 153.57 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 54.33 111.122 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' A' ' 111' ' ' LEU . 7.9 tt -129.82 141.66 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 70.44 110.898 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -134.17 160.31 69.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.663 0.744 . . . . 75.15 110.877 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.72 15.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 74.25 112.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.82 -179.26 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 54.32 110.842 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -75.07 -33.63 61.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 71.13 110.861 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.25 26.49 4.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 64.04 110.845 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -92.94 152.43 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 65.41 110.895 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 63.23 41.34 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 64.41 110.877 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -126.95 -39.2 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.861 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -170.62 68.35 0.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 65.42 110.919 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.14 68.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.242 . . . . 74.35 112.366 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.406 HG21 ' HG2' ' A' ' 97' ' ' GLU . 35.8 m -69.06 170.37 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 72.03 111.128 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -75.2 98.37 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.892 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.611 HD13 ' OE2' ' A' ' 97' ' ' GLU . 4.0 mm? -69.19 -25.75 64.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.945 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.6 t -96.2 28.23 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.886 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.33 111.143 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.875 0.369 . . . . 73.31 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.8 p -77.68 159.74 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 63.33 111.119 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.729 HD11 HD22 ' A' ' 12' ' ' LEU . 10.6 mt -66.91 153.72 93.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 73.13 110.908 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -18.59 37.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 2.287 . . . . 43.32 112.35 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -76.36 -14.31 60.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.893 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.55 -21.11 26.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 75.32 112.549 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 147.97 87.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 71.12 110.877 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 123.61 10.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 73.52 112.382 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -71.57 -55.5 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 63.3 110.865 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -54.35 -43.54 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 74.43 110.853 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -61.27 -36.82 81.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 72.52 110.859 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.729 HD22 HD11 ' A' ' 3' ' ' LEU . 2.0 mp -68.42 -41.0 81.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 45.43 110.861 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mm -55.95 -48.97 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.096 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -34.34 77.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.913 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.814 ' HB3' HD11 ' A' ' 110' ' ' LEU . 17.1 mttp -65.95 -50.2 65.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 62.34 110.9 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -64.64 -22.9 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 44.52 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.4 m -65.56 -22.34 66.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 75.23 111.131 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.95 -8.69 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 74.34 111.114 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.91 HD11 HD22 ' A' ' 110' ' ' LEU . 19.3 mt -105.16 4.03 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.943 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.94 -154.16 22.18 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 34.44 112.469 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.7 20.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 73.42 112.364 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -62.11 130.15 44.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.921 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -77.7 141.76 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 70.5 111.152 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.0 97.54 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 53.01 110.845 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -54.12 -73.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 63.21 110.905 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.01 178.63 27.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 55.14 112.509 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -112.08 -25.92 9.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.777 0.322 . . . . 63.5 110.88 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.3 p -54.45 161.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.926 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.11 47.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 63.13 110.927 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -95.2 151.45 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 74.35 110.868 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -104.1 49.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.842 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -129.76 160.17 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 63.32 110.914 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -120.1 115.16 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.828 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -95.84 144.39 26.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 52.51 110.895 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -139.48 116.48 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.898 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -106.91 111.54 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 74.11 110.899 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -107.39 160.46 15.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.915 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.7 mt -110.89 98.26 7.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.918 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.49 -70.93 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 64.54 111.087 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -144.74 151.43 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 61.12 111.093 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 t -84.68 116.09 23.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.872 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 52' ' ' GLU . 6.3 p -81.82 -25.17 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 72.41 111.108 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -87.93 118.68 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.92 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -150.89 -41.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 62.01 111.129 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 35.0 mttt -66.61 -57.46 12.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 54.02 110.915 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.2 Cg_endo -69.78 178.26 4.76 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.711 2.274 . . . . 71.44 112.291 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.545 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -55.36 159.8 4.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.542 0.687 . . . . 73.51 111.117 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.81 -22.16 32.24 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.645 2.23 . . . . 54.4 112.298 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.68 -17.53 55.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.883 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -99.73 18.16 18.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.72 121.74 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 64.43 110.876 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.471 ' O ' HG12 ' A' ' 42' ' ' VAL . 72.2 mt-10 -136.96 126.78 25.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.857 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -112.99 149.11 33.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.918 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.729 ' CD1' HG11 ' A' ' 92' ' ' VAL . 52.6 m95 -80.71 141.91 34.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.925 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.24 -173.24 14.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 45.13 112.503 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -88.44 -174.97 4.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.696 0.284 . . . . 73.45 110.968 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -170.38 50.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 74.02 110.893 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.5 ttp -92.36 115.38 28.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.886 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.14 113.62 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.35 110.896 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD13 ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -120.73 159.38 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 63.42 110.858 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -132.94 111.02 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.919 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.24 117.11 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 71.11 111.114 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.33 -169.4 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 75.14 110.863 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.29 -63.24 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 72.15 110.863 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.91 40.71 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 63.01 110.92 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.56 174.52 12.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 45.23 110.876 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.61 ' HZ ' HD21 ' A' ' 12' ' ' LEU . 1.2 m-85 -144.5 126.85 15.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.52 110.92 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -108.69 164.1 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 63.42 111.183 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.652 ' CE1' HD13 ' A' ' 60' ' ' LEU . 83.0 m-85 -151.95 156.21 39.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 75.04 110.893 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -141.81 141.68 33.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 70.5 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -84.84 103.92 14.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 53.34 110.913 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -136.0 146.71 47.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 72.25 110.929 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -109.05 155.59 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 70.21 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.11 -166.06 16.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 73.42 112.52 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.494 HD13 HG11 ' A' ' 85' ' ' VAL . 2.9 tt -138.12 145.93 42.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 73.14 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -99.89 109.83 22.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.32 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.27 -179.17 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.855 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.33 -26.09 68.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.08 -9.73 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 63.34 110.866 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.68 20.19 75.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 73.41 112.473 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -81.56 148.24 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 74.44 110.88 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -63.06 123.23 18.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.43 110.932 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -140.88 107.64 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 70.34 111.19 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 84' ' ' VAL . 11.0 m -60.64 114.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.161 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.494 HG11 HD13 ' A' ' 75' ' ' LEU . 7.3 p -148.12 133.32 9.21 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.651 0.739 . . . . 73.23 111.096 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.5 Cg_endo -69.81 146.46 59.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.652 2.234 . . . . 72.34 112.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.535 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 41.9 mm -81.83 116.82 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.12 111.162 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -89.19 151.56 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 61.31 110.891 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 63.16 105.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.4 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 t -54.9 -28.18 48.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.164 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.92 -36.31 62.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.729 HG11 ' CD1' ' A' ' 54' ' ' TRP . 58.7 t -78.79 -46.73 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.131 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -33.0 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 64.51 111.116 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.85 -36.85 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 54.02 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.697 ' O ' HG23 ' A' ' 99' ' ' THR . 30.8 tpt180 -69.47 -46.72 66.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.873 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.48 -34.7 77.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 51.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.636 ' HA ' HD23 ' A' ' 100' ' ' LEU . 11.0 mt-10 -61.05 -44.22 97.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.886 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -71.93 -39.87 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 75.04 110.946 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 95' ' ' ARG . 71.4 p -60.94 -46.52 90.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 71.04 111.117 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.636 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -61.37 -34.1 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 61.01 110.892 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -49.13 55.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.862 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.93 -29.47 70.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 62.52 110.883 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -64.47 -35.21 80.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.862 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -38.03 76.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.01 110.865 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.41 -48.03 77.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.869 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.56 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -72.2 -32.69 67.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 61.04 110.872 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.64 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -59.83 -35.61 75.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 60.05 110.921 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.521 ' HG2' HD11 ' A' ' 112' ' ' ILE . 31.7 ttt180 -59.27 -48.89 79.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 71.45 110.874 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.725 ' HA ' HD12 ' A' ' 112' ' ' ILE . 22.1 t0 -55.8 -44.43 77.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 64.21 110.874 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 19' ' ' LEU . 7.0 tp -58.63 -50.6 73.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.921 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.413 HD22 HD11 ' A' ' 118' ' ' LEU . 3.1 mp -63.22 -33.53 75.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.909 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 109' ' ' ASP . 27.8 mt -60.77 -35.74 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.131 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.7 t -73.64 -23.88 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.886 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.464 ' CB ' HD23 ' A' ' 116' ' ' LEU . 13.1 mtm -93.05 -2.45 55.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 74.3 110.868 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 64.25 48.55 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 114' ' ' MET . 4.5 mm? -111.71 161.39 16.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 72.05 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.492 ' C ' HD22 ' A' ' 118' ' ' LEU . . . -97.91 159.4 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.093 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.492 HD22 ' C ' ' A' ' 117' ' ' ALA . 4.5 mm? -121.53 135.76 55.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 60.42 110.929 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -155.81 160.12 31.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 62.32 110.934 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.4 14.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 74.3 112.369 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.52 139.25 53.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 75.12 110.847 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.59 -21.31 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 70.44 110.849 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -110.47 26.45 10.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 61.31 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -122.92 125.01 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.3 110.843 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -96.14 -68.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 73.51 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.97 103.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.851 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -174.25 68.41 0.31 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 65.31 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.38 45.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.268 . . . . 71.2 112.351 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.6 HG23 HD21 ' A' ' 131' ' ' LEU . 12.6 m -64.25 137.94 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.54 111.166 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -78.23 97.42 5.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 61.12 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.6 HD21 HG23 ' A' ' 129' ' ' VAL . 5.7 mt -73.45 -30.63 63.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.43 110.922 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 m -104.41 65.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.23 110.89 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.131 179.869 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.819 0.342 . . . . 64.54 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.0 p -91.25 159.82 15.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 65.3 111.129 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 12' ' ' LEU . 7.9 mt -70.14 153.86 94.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.708 . . . . 60.45 110.892 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -17.43 37.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 75.12 112.328 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -19.87 60.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 43.43 110.832 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.57 -1.26 30.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 60.22 112.482 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.21 149.48 36.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 61.23 110.849 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.98 10.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.664 2.242 . . . . 62.02 112.396 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HG3' HD21 ' A' ' 3' ' ' LEU . 19.4 ttpt -71.01 -56.83 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 61.4 110.94 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -54.2 -45.46 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 61.43 110.843 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -61.57 -34.56 75.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.853 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 3' ' ' LEU . 1.5 mp -73.23 -44.59 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 65.55 110.935 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.43 ' O ' HD13 ' A' ' 23' ' ' ILE . 35.4 mm -55.29 -44.57 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 73.33 111.144 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.927 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.709 ' HB3' HD11 ' A' ' 110' ' ' LEU . 9.0 mtpp -67.52 -51.06 55.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.89 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' A' ' 110' ' ' LEU . 31.9 m-85 -59.08 -24.54 63.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.896 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.3 m -63.91 -22.47 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 41.25 111.123 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.91 -7.85 59.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 60.21 111.101 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.892 HD11 HD22 ' A' ' 110' ' ' LEU . 28.4 mt -104.52 4.02 32.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.03 110.912 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.39 -152.95 21.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.502 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.25 19.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 75.51 112.336 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -61.54 133.48 55.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.918 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -79.6 143.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 75.34 111.104 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -83.81 93.83 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.877 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -52.0 125.25 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 65.51 110.872 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.44 149.35 10.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 60.44 112.49 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -100.49 -43.35 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 75.32 110.919 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 88.3 m -105.71 -62.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.22 110.866 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -86.84 108.66 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.22 110.892 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -94.63 38.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.88 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -132.35 26.01 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 62.21 110.9 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -139.94 160.72 39.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.874 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -131.28 112.75 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.842 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.414 ' O ' HG23 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -93.52 149.06 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 62.41 110.907 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -149.04 138.34 21.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 71.42 110.872 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.88 112.33 25.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 71.41 110.876 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.477 ' C ' HD23 ' A' ' 38' ' ' LEU . 34.0 m -106.69 115.16 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 32.14 110.856 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 37' ' ' CYS . 5.5 mt -111.03 90.05 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.96 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.446 ' HB1' ' HG3' ' A' ' 95' ' ' ARG . . . -81.67 -46.24 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 71.41 111.101 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.856 HG21 HG13 ' A' ' 92' ' ' VAL . 96.9 t -135.64 131.24 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 63.21 111.143 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -90.61 129.67 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 51.23 110.898 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.536 HG12 ' NE1' ' A' ' 54' ' ' TRP . 4.7 m -81.23 -4.59 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.4 111.114 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 71.79 164.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 62.14 110.943 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.0 m -93.63 38.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.1 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -67.25 -58.45 8.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 71.31 110.909 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.3 Cg_endo -69.77 -167.38 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.284 . . . . 73.51 112.306 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -50.14 160.3 0.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 43.41 111.083 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.72 -48.42 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.704 2.269 . . . . 71.21 112.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.19 -9.1 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 65.43 110.852 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 6.4 mtpm? -96.53 17.17 16.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.42 110.873 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -82.6 117.61 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.847 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.484 ' HB3' HD21 ' A' ' 75' ' ' LEU . 1.7 mt-10 -137.93 167.62 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 65.54 110.91 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -127.98 146.47 50.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.536 ' NE1' HG12 ' A' ' 42' ' ' VAL . 72.5 m95 -80.96 129.65 34.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 72.52 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.66 -138.68 2.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.757 . . . . 70.22 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.0 p-90 -170.6 109.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.689 0.28 . . . . 74.2 110.96 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -60.01 137.49 58.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 74.51 110.93 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.628 ' SD ' HD22 ' A' ' 60' ' ' LEU . 4.4 tmm? -113.78 111.73 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 53.32 110.847 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -114.14 112.49 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 75.43 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.628 HD22 ' SD ' ' A' ' 58' ' ' MET . 2.7 pt? -135.19 159.73 40.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 70.21 110.948 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -125.83 110.67 13.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.13 110.883 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.65 114.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 74.15 111.075 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -77.31 169.41 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -49.61 -47.14 49.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.32 110.886 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.82 41.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 70.42 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.506 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 26.3 mtt180 -164.35 -179.45 6.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 74.11 110.85 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.476 ' HD1' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -138.06 166.4 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.886 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 72.1 p -137.13 154.08 50.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 70.03 111.169 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -152.59 161.07 43.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.923 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.98 160.48 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.867 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -122.31 114.33 20.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.96 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -135.86 140.84 44.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 73.2 110.901 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -92.08 144.22 25.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 64.4 110.874 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.76 -154.07 13.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 35.55 112.478 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.732 HD13 HG21 ' A' ' 85' ' ' VAL . 4.9 tt -135.31 145.53 47.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 64.24 110.954 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -106.1 103.56 13.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 75.1 110.905 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -89.31 -177.45 5.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.87 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -81.08 -25.71 36.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 53.54 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -78.41 -9.65 59.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 65.11 110.89 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.95 18.84 74.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 61.04 112.514 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -97.45 155.52 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 74.31 110.895 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 46.0 p90 -84.63 128.02 34.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.03 110.894 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.3 m -144.93 113.15 6.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 74.5 111.171 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.5 m -69.83 117.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 62.25 111.119 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.732 HG21 HD13 ' A' ' 75' ' ' LEU . 1.8 m -137.1 156.9 75.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.609 0.718 . . . . 71.32 111.149 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.69 43.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 71.11 112.357 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.479 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 40.8 mm -92.66 147.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.23 111.163 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.488 ' CB ' HG21 ' A' ' 92' ' ' VAL . 1.4 m-20 -57.99 -174.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 63.34 110.851 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -47.29 161.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -50.85 -31.28 16.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.31 111.12 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -33.99 52.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.856 HG13 HG21 ' A' ' 40' ' ' VAL . 88.5 t -79.77 -45.24 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 61.31 111.119 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -33.18 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 63.1 111.136 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -62.2 -37.43 85.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 64.2 110.876 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 99' ' ' THR . 20.3 tpp180 -68.51 -35.43 77.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.901 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.55 -35.64 73.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.938 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.464 ' HA ' HD23 ' A' ' 100' ' ' LEU . 16.5 mm-40 -69.43 -40.06 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.8 -36.45 70.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 74.3 110.931 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 95' ' ' ARG . 17.6 p -64.97 -46.46 81.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 75.21 111.142 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.9 OUTLIER -66.81 -33.98 76.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.921 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.53 -44.08 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.913 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.21 -29.49 64.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.898 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -64.99 -36.24 83.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.44 110.933 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -69.96 -32.8 71.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 75.2 110.853 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.13 -48.11 46.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 63.35 110.848 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -62.55 -32.28 73.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.887 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.656 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -69.65 -37.06 76.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 61.53 110.928 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -54.67 -46.07 73.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.547 ' HA ' HD12 ' A' ' 112' ' ' ILE . 35.7 t0 -56.22 -46.42 79.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.85 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.892 HD22 HD11 ' A' ' 19' ' ' LEU . 9.2 tp -58.64 -51.34 70.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.53 110.857 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.569 ' CD2' HD23 ' A' ' 118' ' ' LEU . 2.0 mp -61.84 -30.98 71.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 44.14 110.943 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.1 mt -68.02 -30.08 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 73.13 111.123 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.3 t -74.27 -23.38 59.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 61.13 110.845 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.523 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -108.71 1.89 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 64.31 110.871 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 58.53 43.05 19.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 70.22 110.892 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 114' ' ' MET . 2.4 mm? -102.42 125.49 49.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.906 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.506 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -89.04 134.64 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.1 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 111' ' ' LEU . 4.3 pp -116.92 140.62 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.942 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -147.24 159.88 41.08 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 61.33 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.01 15.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 72.21 112.366 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.37 130.27 40.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.904 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -58.86 -22.04 58.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 71.41 110.869 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -95.77 26.2 4.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -130.34 128.51 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.876 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -81.28 -179.6 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 65.3 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -92.59 132.74 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -153.99 73.07 6.43 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 63.41 110.874 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.82 68.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 74.14 112.311 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 131' ' ' LEU . 8.5 m -113.43 146.88 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.117 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -83.19 97.49 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 62.31 110.885 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 129' ' ' VAL . 4.1 mm? -73.6 -36.24 65.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.929 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 t -97.27 61.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 73.14 110.879 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' ' 130' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.12 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ptp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 70.11 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.8 p -76.88 159.54 29.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 52.01 111.167 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.65 153.74 92.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 54.13 110.959 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -17.38 37.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 42.34 112.323 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.57 -18.85 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.24 110.86 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.57 1.15 30.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 55.45 112.497 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.6 151.77 39.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 65.34 110.837 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.601 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.78 124.9 11.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.677 2.251 . . . . 45.3 112.333 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -69.73 -47.28 63.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.02 110.91 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.6 p -57.57 -43.3 84.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -39.84 93.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 73.44 110.868 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.763 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.8 mm? -64.24 -49.08 73.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 43.51 110.904 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 ' HB ' ' A' ' 23' ' ' ILE . 49.6 mm -61.52 -44.01 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 53.21 111.14 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -67.84 -39.74 83.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 73.33 110.89 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HB3' HD11 ' A' ' 110' ' ' LEU . 11.6 mtpp -65.5 -50.14 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.34 110.875 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' A' ' 12' ' ' LEU . 17.5 m-85 -59.01 -30.54 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.9 m -58.79 -21.57 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 54.22 111.17 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.71 -7.0 58.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.11 111.063 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.696 ' CD1' HD22 ' A' ' 110' ' ' LEU . 41.5 mt -104.0 -5.27 22.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 61.33 110.925 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.46 -151.11 11.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 72.33 112.468 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.02 19.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 64.11 112.318 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -61.87 132.28 52.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 63.14 110.941 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.9 mp -78.08 143.28 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.139 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -81.86 94.84 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.901 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.26 162.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.864 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.21 -174.11 22.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 42.03 112.48 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -119.69 44.99 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 75.4 110.973 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.6 m 58.28 41.36 23.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 51.13 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -111.91 -37.55 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.882 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -135.35 156.31 49.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.846 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -102.04 26.15 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 61.45 110.89 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -110.3 160.88 16.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.31 110.86 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -108.52 137.79 45.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.863 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 23' ' ' ILE . 5.6 m-85 -97.88 148.95 22.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 61.54 110.876 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -149.59 146.78 27.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.911 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.54 112.73 24.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 53.32 110.901 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.51 101.07 10.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 65.34 110.906 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.5 mt -111.02 120.06 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.53 110.922 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 95' ' ' ARG . . . -121.04 -50.56 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 63.11 111.123 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -147.06 143.33 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.24 111.143 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -75.74 135.14 40.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.579 HG21 HD21 ' A' ' 75' ' ' LEU . 86.2 t -64.07 -51.3 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 72.15 111.063 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -173.36 162.25 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.914 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 44' ' ' VAL . 9.2 p -127.77 0.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 63.43 111.116 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.2 mtpp -51.16 -58.11 11.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.539 0.685 . . . . 74.53 110.892 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.2 Cg_endo -69.85 177.92 5.15 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.666 2.244 . . . . 70.51 112.311 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.67 159.94 1.17 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 54.24 111.127 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.76 -23.8 30.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 62.51 112.284 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.03 -25.76 40.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.889 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -96.81 17.12 17.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.888 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -75.01 153.25 38.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.642 ' HB3' HD11 ' A' ' 75' ' ' LEU . 54.2 mt-10 -137.08 156.8 47.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.87 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.28 166.85 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 72.03 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.479 ' CE2' HG22 ' A' ' 42' ' ' VAL . 73.2 m95 -103.73 159.84 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.97 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.43 -174.39 40.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 64.54 112.47 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -135.25 125.42 26.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.754 0.312 . . . . 70.2 110.902 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -68.95 135.94 51.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.925 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.472 ' SD ' HD22 ' A' ' 60' ' ' LEU . 4.4 tmm? -115.92 112.66 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.25 110.869 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -113.66 123.73 50.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 64.13 110.871 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.472 HD22 ' SD ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -127.78 146.64 50.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 72.4 110.902 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -125.45 111.46 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.917 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.8 112.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 61.34 111.06 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.16 174.43 10.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 71.01 110.944 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -48.97 -48.49 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.861 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.71 21.02 1.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 62.45 110.899 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.506 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 58.9 mtm180 -142.35 -179.56 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 74.44 110.904 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.75 144.62 43.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.949 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -141.27 139.94 33.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 73.45 111.139 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -127.19 171.75 11.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.951 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -144.04 160.61 40.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 54.03 110.874 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -128.5 123.92 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 63.11 110.948 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -135.64 138.06 42.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.945 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -91.74 151.5 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.923 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.9 -158.87 31.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 71.15 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -108.66 129.78 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 51.24 110.911 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.599 ' N ' HD13 ' A' ' 75' ' ' LEU . 71.6 t80 -105.95 95.27 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 63.23 110.918 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 172.88 9.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.825 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -81.4 -20.59 40.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.902 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.12 -9.69 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 62.14 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.69 18.54 79.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 64.24 112.501 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -77.18 157.2 31.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 75.42 110.892 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -100.26 121.61 41.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.0 m -145.77 116.13 7.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.03 111.179 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 84' ' ' VAL . 17.2 m -91.64 120.82 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 71.45 111.139 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.427 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 1.9 m -143.17 133.1 11.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.669 0.747 . . . . 72.45 111.073 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 137.37 35.4 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.676 2.251 . . . . 65.22 112.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 mt -97.63 112.41 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.53 111.109 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -99.07 89.99 4.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.24 102.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 54.32 110.86 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 t -52.55 -28.16 19.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.149 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.73 -42.44 86.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -79.45 -32.04 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 74.24 111.134 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -33.46 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 64.42 111.116 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.3 -33.79 71.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 71.23 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.514 ' CG ' ' HB1' ' A' ' 39' ' ' ALA . 25.2 tpp180 -71.36 -43.63 66.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.834 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.86 -41.59 95.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.953 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.401 ' HA ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -68.89 -40.46 79.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.14 110.864 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -71.6 -36.35 70.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 75.15 110.918 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 95' ' ' ARG . 12.2 p -66.12 -46.91 75.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 62.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -67.42 -34.35 77.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.881 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -44.41 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.888 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.94 -28.94 62.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.84 -35.3 70.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.14 110.853 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -70.28 -32.35 70.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.42 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.48 -48.33 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.91 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.74 -31.9 70.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 61.13 110.913 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -35.48 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.3 110.851 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -54.39 -50.63 67.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 74.45 110.87 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -56.09 -46.62 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 51.33 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 19' ' ' LEU . 10.1 tp -59.63 -51.06 71.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.91 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.455 HD13 ' HG ' ' A' ' 118' ' ' LEU . 67.9 mt -62.38 -32.07 72.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 71.34 110.924 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.3 mt -68.49 -29.85 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 62.2 111.122 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.9 t -73.45 -24.65 60.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.841 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.584 ' HB2' HD23 ' A' ' 116' ' ' LEU . 10.4 ptp -103.58 -0.8 29.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.879 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 63.82 34.96 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 61.13 110.875 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.0 mm? -102.31 128.3 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 73.42 110.905 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.506 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -85.39 159.63 19.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 73.0 111.09 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.455 ' HG ' HD13 ' A' ' 111' ' ' LEU . 17.7 mt -99.71 143.06 30.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 64.03 110.912 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -152.57 160.26 31.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 75.23 110.887 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 170.76 15.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 72.34 112.336 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m -112.26 -175.29 2.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.67 -23.55 39.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.66 26.38 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 53.52 110.867 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -91.11 108.58 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.902 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -99.65 -171.39 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.868 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -97.18 -176.18 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 72.43 110.868 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 54.07 68.28 2.89 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.57 0.7 . . . . 74.4 110.888 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.79 55.72 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 51.33 112.334 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.27 127.19 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 70.24 111.181 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -66.99 97.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.902 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.8 mt -73.55 -29.6 62.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.963 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -99.37 44.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 62.35 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 65.33 111.1 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 72.41 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.7 p -80.93 159.7 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 72.24 111.122 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.464 HD11 HD22 ' A' ' 12' ' ' LEU . 7.1 mt -68.98 153.91 95.6 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.592 0.71 . . . . 64.24 110.915 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -18.04 37.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 53.21 112.353 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -19.74 60.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 53.41 110.841 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.53 -1.44 30.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 63.32 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.06 150.37 38.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 73.02 110.855 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 124.11 10.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 61.13 112.361 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -71.11 -57.19 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.873 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 m -54.07 -45.17 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 51.03 110.863 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -61.64 -35.53 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 63.04 110.864 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 3' ' ' LEU . 1.4 mp -73.72 -40.87 63.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 63.32 110.904 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 23' ' ' ILE . 27.4 mm -55.03 -47.76 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 41.53 111.147 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.74 -33.69 75.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.15 110.867 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.786 ' HB3' HD11 ' A' ' 110' ' ' LEU . 11.5 mttt -65.32 -53.45 43.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 63.31 110.915 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -59.05 -27.03 65.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.875 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.1 m -59.54 -21.64 60.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 41.15 111.159 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.29 -7.55 59.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.34 111.104 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.69 HD13 HD22 ' A' ' 107' ' ' LEU . 23.7 mt -104.4 4.2 33.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.936 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.56 -151.5 19.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 65.22 112.455 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.42 19.01 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.724 2.283 . . . . 73.44 112.316 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.12 134.24 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.919 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.528 HD13 ' O ' ' A' ' 13' ' ' ILE . 5.1 mp -82.75 145.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 70.33 111.168 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -83.86 93.5 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 55.34 110.872 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -91.1 -176.83 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.44 110.901 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.17 174.27 46.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 74.01 112.485 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -113.85 36.89 3.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.327 . . . . 72.33 110.917 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.6 m -95.52 -176.5 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 52.24 110.896 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -52.57 168.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 71.4 110.894 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -52.58 126.75 20.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.883 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -146.36 176.95 9.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -105.62 151.45 24.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.865 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -59.31 153.34 19.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -133.94 145.68 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.881 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -139.12 116.41 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 64.11 110.834 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -107.78 109.01 20.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 73.11 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -110.13 154.45 23.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 55.12 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 38' ' ' LEU . 12.0 mt -111.63 89.49 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.925 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.53 -72.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.09 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 t -145.73 150.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 45.53 111.154 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.6 p -82.07 143.0 31.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 71.42 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.499 HG12 ' OD1' ' A' ' 43' ' ' ASN . 21.9 t -59.09 -45.44 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 53.11 111.137 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.499 ' OD1' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -178.58 174.63 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 64.41 110.838 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.515 HG12 ' HE ' ' A' ' 51' ' ' ARG . 32.7 m -120.1 16.0 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 54.41 111.109 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -66.96 -58.45 9.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 73.44 110.913 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.3 Cg_endo -69.81 -173.59 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 75.23 112.305 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -75.57 160.09 80.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 74.34 111.12 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.77 -23.99 30.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 75.45 112.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.59 -25.42 49.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 72.5 110.91 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -104.71 -14.05 15.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.865 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HE ' HG12 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -51.72 137.18 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.851 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.486 ' HB3' HD11 ' A' ' 75' ' ' LEU . 12.8 mt-10 -113.42 156.54 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.853 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -134.21 150.08 51.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.11 110.871 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.67 ' CD1' HG11 ' A' ' 92' ' ' VAL . 59.6 m95 -80.42 135.03 36.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.961 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.99 178.23 17.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 61.52 112.466 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -62.22 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 73.14 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 64.37 82.66 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 64.45 110.944 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.536 ' SD ' HD22 ' A' ' 60' ' ' LEU . 6.7 tmm? -122.99 117.34 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 72.11 110.859 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -110.28 119.57 39.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 62.21 110.899 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.536 HD22 ' SD ' ' A' ' 58' ' ' MET . 2.4 pt? -134.31 159.07 42.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -130.94 111.4 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.51 134.21 40.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.1 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -98.96 -177.79 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 75.13 110.955 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.09 -51.0 57.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.13 110.87 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 26.87 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.31 110.856 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -144.24 172.11 13.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 74.15 110.899 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.33 151.65 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 63.42 110.901 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.5 t -124.78 156.47 37.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 65.23 111.155 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -150.32 149.3 29.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 64.03 110.891 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -140.97 160.06 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 53.25 110.876 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.1 104.71 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.919 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -135.19 146.78 49.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 54.31 110.909 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -115.08 138.43 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 64.13 110.878 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.24 172.98 20.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.688 -0.768 . . . . 54.35 112.462 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.515 HD13 HG11 ' A' ' 85' ' ' VAL . 2.5 tt -145.59 145.96 31.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 73.04 110.929 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -96.85 119.58 35.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.35 110.91 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -97.98 -175.98 3.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -58.05 -22.85 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 71.4 110.927 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -106.48 -10.61 16.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 64.11 110.867 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.09 9.01 59.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 73.42 112.526 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -77.1 155.38 32.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 74.11 110.889 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -52.7 121.79 7.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.945 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -141.18 106.38 5.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.106 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 84' ' ' VAL . 14.7 m -68.42 115.99 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.139 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.515 HG11 HD13 ' A' ' 75' ' ' LEU . 7.3 p -147.05 133.38 9.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 72.43 111.121 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.1 Cg_endo -69.78 142.61 48.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 54.13 112.32 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.523 ' HB ' HG23 ' A' ' 93' ' ' VAL . 40.0 mm -70.78 114.99 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 53.52 111.143 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -84.57 156.09 21.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.914 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 63.42 105.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.914 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -53.8 -29.33 40.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.24 111.138 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -56.59 -39.09 72.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.55 110.888 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.67 HG11 ' CD1' ' A' ' 54' ' ' TRP . 85.0 t -78.93 -43.87 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 62.54 111.166 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.523 HG23 ' HB ' ' A' ' 87' ' ' ILE . 0.4 OUTLIER -52.65 -33.31 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 75.24 111.112 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -62.46 -31.5 72.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.899 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 99' ' ' THR . 23.2 tpp180 -74.51 -36.59 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.869 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.8 -42.68 69.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.916 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.754 ' HA ' HD23 ' A' ' 100' ' ' LEU . 2.8 mm-40 -66.43 -40.16 89.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 60.33 110.887 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -70.82 -38.49 73.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.982 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 95' ' ' ARG . 11.2 p -66.13 -25.33 66.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 63.04 111.094 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.4 OUTLIER -74.13 -34.87 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.928 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.67 ' HG3' HD11 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -72.8 -49.69 28.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 62.54 110.879 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -58.67 -29.34 66.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -71.99 -38.87 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.35 110.874 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -56.9 -32.72 66.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 72.34 110.848 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.58 -47.74 45.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.857 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -67.3 -32.54 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.886 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.69 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.09 -37.83 88.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.905 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -54.81 -45.67 74.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.496 ' HA ' HD12 ' A' ' 112' ' ' ILE . 19.2 t70 -55.99 -46.79 78.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.884 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.786 HD11 ' HB3' ' A' ' 15' ' ' LYS . 30.0 tp -59.42 -50.85 72.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.882 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.632 HD23 HD22 ' A' ' 118' ' ' LEU . 2.1 mp -61.92 -30.93 71.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 65.55 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 109' ' ' ASP . 18.5 mt -68.18 -30.41 47.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 72.31 111.127 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -22.43 59.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 61.35 110.874 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.679 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -108.93 -0.19 19.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 62.23 110.865 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 59.41 44.87 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.5 mm? -102.06 132.77 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 60.24 110.91 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.85 159.94 30.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 55.24 111.128 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.632 HD22 HD23 ' A' ' 111' ' ' LEU . 4.5 mm? -100.65 143.16 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 62.32 110.897 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -127.73 153.61 77.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.644 0.735 . . . . 71.53 110.886 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.15 14.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.727 2.284 . . . . 74.32 112.331 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 t -88.64 136.56 32.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.916 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -56.61 -24.91 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.89 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -103.32 25.87 9.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.897 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -91.5 118.62 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.897 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -121.97 41.87 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 41.35 110.859 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 55.42 42.23 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.866 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -150.13 72.75 9.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.67 0.748 . . . . 74.51 110.903 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.28 62.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.234 . . . . 45.5 112.349 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.52 HG11 ' OE2' ' A' ' 97' ' ' GLU . 31.1 m -61.05 133.63 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.21 111.129 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 111.15 22.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.02 110.927 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.67 HD11 ' HG3' ' A' ' 101' ' ' ARG . 7.3 mt -72.61 -35.05 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 72.14 110.936 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.3 m -76.97 64.62 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 43.02 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 60.32 111.108 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.89 0.376 . . . . 73.24 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -81.01 159.81 24.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 75.14 111.122 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.39 153.86 95.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.721 . . . . 73.24 110.945 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -18.62 37.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 72.2 112.337 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -19.16 59.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 60.54 110.862 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.47 -0.48 30.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 70.45 112.531 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 153.64 40.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.572 0.701 . . . . 71.23 110.88 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.664 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.8 Cg_endo -69.75 124.76 11.4 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 61.23 112.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -69.78 -51.51 33.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.04 110.902 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -54.81 -44.81 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.847 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -62.13 -41.88 98.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 75.21 110.862 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.721 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.8 mm? -60.83 -41.98 96.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.895 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.83 -48.27 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 74.12 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -65.03 -37.2 86.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.922 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HB3' HD11 ' A' ' 110' ' ' LEU . 10.1 mttm -66.82 -52.11 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.882 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.721 ' CE2' HD12 ' A' ' 12' ' ' LEU . 11.7 m-85 -58.96 -28.83 66.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 50.53 110.863 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.8 m -58.89 -21.73 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.142 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.76 -7.16 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 53.41 111.073 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.712 HD13 HD22 ' A' ' 107' ' ' LEU . 28.4 mt -102.65 4.13 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.54 110.926 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.99 -148.05 14.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 54.33 112.49 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.14 19.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 73.22 112.324 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -61.63 125.07 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.957 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.8 mp -72.29 141.0 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.14 111.091 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 93.73 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.884 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -95.62 177.19 5.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.892 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.71 97.9 0.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 50.22 112.472 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -152.16 141.16 21.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 62.11 110.893 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.8 t -52.25 -31.7 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 54.14 110.866 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -139.37 51.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 65.54 110.879 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.2 95.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 52.41 110.843 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -112.89 -27.8 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 62.05 110.83 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -125.22 160.98 27.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -113.03 110.74 20.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 75.11 110.932 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -102.86 132.18 49.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.904 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -118.68 124.96 48.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.886 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.28 112.05 24.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 54.51 110.843 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -107.23 146.23 31.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.909 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 mt -92.06 116.56 29.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 60.23 110.872 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.03 -68.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 53.31 111.13 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -144.16 146.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.8 m -68.77 156.65 37.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 52.22 110.871 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 52' ' ' GLU . 92.9 t -70.11 -23.77 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.111 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.7 t30 64.85 96.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.896 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.476 HG12 ' H ' ' A' ' 45' ' ' LYS . 1.4 t -141.37 168.72 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 50.12 111.148 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.533 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 12.3 mtmt -48.12 -57.85 9.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 75.34 110.927 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.5 Cg_endo -69.8 152.37 69.06 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 62.21 112.306 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.47 159.87 1.1 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 73.02 111.14 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.71 -23.69 30.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 74.41 112.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -63.16 -23.2 67.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.877 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -106.42 1.15 25.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 63.41 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' CD ' HG21 ' A' ' 44' ' ' VAL . 2.0 tpt180 -121.57 159.95 25.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 71.23 110.855 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.2 mt-10 -86.38 166.98 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.842 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -120.45 167.39 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 70.21 110.9 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -80.91 142.39 33.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.949 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.94 119.62 0.64 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.501 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -76.65 147.1 37.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 75.51 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -118.48 116.9 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.41 ' SD ' HD22 ' A' ' 60' ' ' LEU . 9.8 tmm? -103.67 112.72 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 54.24 110.879 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.92 119.89 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.876 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.41 HD22 ' SD ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -117.83 159.19 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 72.53 110.921 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -131.15 112.46 12.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.878 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.69 116.83 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.42 111.087 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -77.38 -178.58 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.912 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -50.17 -54.89 17.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 51.43 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.4 12.76 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.32 110.892 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.772 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 24.0 ptt180 -137.49 -179.49 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.899 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.498 ' HD1' HD22 ' A' ' 116' ' ' LEU . 1.9 m-85 -130.98 147.45 52.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.85 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t -122.16 146.58 47.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.11 111.124 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.7 ' CE1' HD11 ' A' ' 111' ' ' LEU . 39.9 m-85 -135.33 161.08 36.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 65.43 110.904 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -152.68 160.71 43.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 61.24 110.873 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -111.16 110.93 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 63.3 110.936 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -135.89 124.9 24.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.913 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -92.0 165.88 12.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 71.52 110.884 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 174.32 -147.73 9.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 41.33 112.512 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 tt -133.12 146.07 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 74.5 110.934 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -103.99 110.15 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 62.43 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -95.18 -176.84 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 71.44 110.889 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -23.16 47.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.34 110.915 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.9 -9.94 59.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.929 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.34 21.59 75.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 73.33 112.449 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -94.92 159.35 15.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 74.32 110.855 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -88.3 131.76 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.66 131.83 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 63.34 111.128 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.9 m -69.79 119.77 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.106 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 t -143.82 133.06 11.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 73.23 111.112 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 141.1 44.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 53.11 112.346 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 25.5 mm -88.62 153.61 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 75.11 111.114 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -172.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.03 168.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.901 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 t -51.0 -27.83 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 71.13 111.15 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.59 -42.92 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.45 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -80.76 -48.37 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 70.54 111.118 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -33.49 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.125 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.26 -36.29 77.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -73.23 -31.45 64.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 75.41 110.882 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.1 mt -70.79 -34.7 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.95 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.529 ' HA ' HD23 ' A' ' 100' ' ' LEU . 46.1 mm-40 -65.13 -34.28 78.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.917 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -71.73 -41.39 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 74.4 110.922 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -46.64 89.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 75.12 111.129 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -66.25 -34.12 77.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 65.14 110.919 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -43.6 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.9 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.47 -29.38 64.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 73.01 110.883 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -71.4 -39.63 71.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 54.13 110.854 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -70.76 -32.57 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.886 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.48 -48.52 74.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.459 ' HG3' HD22 ' A' ' 19' ' ' LEU . 11.1 ptmt -69.54 -31.82 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 72.4 110.901 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.712 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -58.86 -35.53 73.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.922 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.44 ' HG2' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -58.91 -46.76 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 60.23 110.839 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.407 ' HA ' HD12 ' A' ' 112' ' ' ILE . 6.1 t70 -56.07 -45.93 79.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 64.04 110.884 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 19' ' ' LEU . 22.0 tp -58.85 -49.97 75.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 54.23 110.901 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' A' ' 69' ' ' TYR . 58.2 mt -64.24 -37.38 87.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 54.43 110.911 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.44 HD11 ' HG2' ' A' ' 108' ' ' ARG . 25.9 mt -60.73 -38.73 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.45 111.127 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -21.08 60.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 63.11 110.842 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.506 ' HB3' HD12 ' A' ' 116' ' ' LEU . 5.9 mtm -94.54 -7.75 40.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 63.05 110.893 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 58.34 42.9 20.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.837 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.506 HD12 ' HB3' ' A' ' 114' ' ' MET . 0.8 OUTLIER -103.2 173.76 6.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.935 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.772 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -96.45 141.46 29.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.02 111.073 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.579 HD22 HD12 ' A' ' 111' ' ' LEU . 32.8 tp -129.52 112.58 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 75.2 110.876 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -127.16 157.29 72.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 71.21 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 171.37 14.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 53.51 112.305 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.2 t -76.74 136.9 39.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.87 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -58.74 -22.18 57.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.879 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -97.13 25.99 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -116.21 107.71 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -101.53 -73.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 65.52 110.873 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -162.28 110.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -174.8 71.34 0.3 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.72 . . . . 71.45 110.9 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 152.54 69.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 72.42 112.407 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.575 HG23 ' CD1' ' A' ' 131' ' ' LEU . 18.7 m -104.09 131.31 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 62.21 111.123 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -79.93 97.49 6.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 53.53 110.859 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' A' ' 129' ' ' VAL . 10.4 mp -73.64 -30.94 63.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.892 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.8 m -102.14 49.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 62.04 110.864 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 74.43 111.152 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.85 0.357 . . . . 74.02 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.4 p -128.6 160.69 31.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 73.53 111.15 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.841 HD11 HD22 ' A' ' 12' ' ' LEU . 5.4 mt -64.39 153.76 85.53 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.597 0.713 . . . . 73.11 110.949 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -17.16 37.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 62.4 112.38 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -77.51 -19.18 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 62.33 110.854 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.69 3.37 30.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.793 -0.718 . . . . 61.22 112.504 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.552 ' HB3' HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -94.66 144.37 27.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 71.25 110.853 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.465 ' O ' HD13 ' A' ' 12' ' ' LEU . 53.2 Cg_endo -69.77 124.55 11.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 64.04 112.365 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -70.86 -54.46 11.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 65.4 110.895 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 m -54.33 -45.13 72.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 61.44 110.915 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -61.73 -35.07 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 72.52 110.885 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.841 HD22 HD11 ' A' ' 3' ' ' LEU . 3.0 mp -70.39 -43.89 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mm -55.59 -42.99 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 65.14 111.138 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -67.7 -43.63 79.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 62.15 110.935 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' HD2' HD11 ' A' ' 110' ' ' LEU . 2.7 mtmp? -62.51 -47.18 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.05 110.936 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.05 -29.94 67.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.14 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 m -65.06 -21.4 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 44.31 111.147 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.78 -7.59 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.4 111.125 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.915 HD11 HD22 ' A' ' 110' ' ' LEU . 14.3 mt -104.67 4.33 32.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 71.44 110.854 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . 162.99 -145.7 10.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 64.25 112.453 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 53.5 Cg_endo -69.77 167.4 24.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 70.24 112.355 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -62.69 145.92 53.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 62.52 110.933 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.8 mp -94.84 143.4 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 74.44 111.131 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -71.9 93.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -100.32 111.57 23.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 52.12 110.912 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.23 -178.66 15.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.722 . . . . 62.32 112.458 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -66.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 72.22 110.886 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.3 p -124.88 -41.01 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.55 110.867 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.88 124.07 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.904 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -166.26 135.76 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.881 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -113.57 -70.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 71.14 110.849 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -112.0 161.05 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 45.12 110.859 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -79.74 132.85 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 65.42 110.882 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 23' ' ' ILE . 66.9 t80 -93.19 149.29 21.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.858 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -150.39 116.48 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.43 110.845 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -107.2 112.39 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 70.21 110.848 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.9 t -106.77 144.04 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.868 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD22 ' CD2' ' A' ' 53' ' ' PHE . 48.2 mt -110.98 132.12 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.897 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.65 -55.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 74.52 111.094 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -149.21 146.31 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 11.5 t -89.49 108.49 19.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 62.14 110.918 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -81.69 -22.26 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 52.54 111.086 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -113.88 94.56 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 51.31 110.917 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.62 -32.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 54.34 111.153 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 3.7 mtpm? -50.35 -57.95 11.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 74.42 110.933 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.9 Cg_endo -69.77 -170.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 73.4 112.358 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -69.01 159.53 82.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.564 0.697 . . . . 33.12 111.094 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.79 -23.34 30.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 51.4 112.349 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.39 -21.22 65.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.57 17.42 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 61.14 110.902 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -57.81 153.4 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 74.4 110.827 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -137.03 144.41 43.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.942 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CD2' HD22 ' A' ' 38' ' ' LEU . 5.7 m-85 -124.06 152.78 42.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.858 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.607 ' CD1' HG11 ' A' ' 92' ' ' VAL . 19.4 m95 -87.62 128.33 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 73.32 110.933 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.34 163.62 32.55 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 51.42 112.527 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -114.07 117.25 30.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 73.23 110.866 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -57.94 154.7 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.33 110.938 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.5 ttt -139.05 112.45 8.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.852 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -113.48 113.24 24.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.21 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 pp -134.64 159.46 41.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 75.31 110.9 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -137.85 112.25 8.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.939 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . . . -51.09 115.01 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.23 111.116 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.6 -178.28 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 73.53 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.67 -64.72 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.842 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.73 41.46 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.854 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.757 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 9.7 ptp180 -169.46 -179.5 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.12 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -137.92 164.25 29.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 61.1 110.887 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.8 t -141.41 164.32 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 54.31 111.111 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -150.85 143.77 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.925 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -119.47 158.4 26.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.871 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -121.49 107.98 13.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.909 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -135.83 131.4 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 73.03 110.881 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -91.91 152.21 20.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 65.25 110.904 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.08 -136.82 2.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.771 -0.728 . . . . 72.21 112.491 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 tt -145.21 143.45 30.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 75.55 110.932 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -100.19 117.11 33.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.23 110.872 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.47 -175.86 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 64.23 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -80.58 -29.49 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 63.14 110.914 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.97 -8.26 17.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.901 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.69 19.72 26.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 74.52 112.515 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.42 124.7 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 72.2 110.902 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -76.64 121.21 22.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 71.53 110.894 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.0 m -145.87 109.28 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 62.42 111.165 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 84' ' ' VAL . 13.5 m -66.11 114.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 73.55 111.084 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.4 m -129.97 152.52 80.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.656 0.741 . . . . 62.21 111.133 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.13 53.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.701 2.267 . . . . 70.53 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.84 HG21 HG23 ' A' ' 93' ' ' VAL . 43.0 mm -97.18 114.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 71.23 111.091 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -96.73 149.21 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.867 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 64.02 107.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 t -56.49 -28.09 58.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 63.32 111.17 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -53.37 -34.99 59.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.869 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.607 HG11 ' CD1' ' A' ' 54' ' ' TRP . 98.0 t -81.04 -33.46 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.42 111.139 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.84 HG23 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -70.34 -34.47 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.43 111.088 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -27.28 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 55.34 110.864 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 99' ' ' THR . 22.5 tpp180 -69.48 -38.3 77.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.882 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.57 -35.3 73.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.2 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.51 -43.59 79.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.865 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -72.12 -41.89 66.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.907 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 95' ' ' ARG . 61.9 p -61.29 -47.1 87.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 65.4 111.122 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.419 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.3 pp -70.7 -34.78 72.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.939 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.2 -45.92 72.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 73.1 110.849 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.92 -29.04 62.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 52.32 110.936 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 107' ' ' LEU . 37.9 t80 -57.81 -35.84 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.867 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -70.07 -32.48 70.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.849 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.36 -48.23 82.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 62.04 110.887 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -73.16 -32.13 64.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 60.22 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.73 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -60.67 -35.64 76.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.953 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -61.84 -42.4 98.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 65.22 110.833 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 112' ' ' ILE . 37.9 t70 -55.87 -46.57 78.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.871 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.915 HD22 HD11 ' A' ' 19' ' ' LEU . 57.9 tp -59.98 -50.4 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.913 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.542 ' CD2' HD13 ' A' ' 118' ' ' LEU . 6.5 mp -62.75 -32.71 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.952 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.9 mt -66.72 -36.35 77.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 72.34 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -73.24 -25.12 60.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 61.11 110.842 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.637 ' HB3' HD23 ' A' ' 116' ' ' LEU . 3.9 mtm -93.77 -8.41 40.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 63.01 110.876 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 64.6 42.51 4.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.871 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.637 HD23 ' HB3' ' A' ' 114' ' ' MET . 3.8 mm? -105.48 135.55 46.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.897 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.757 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -62.94 156.23 25.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 71.4 111.103 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.542 HD13 ' CD2' ' A' ' 111' ' ' LEU . 28.4 tp -129.15 140.39 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 53.44 110.886 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.24 157.88 31.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 74.1 110.886 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 171.15 14.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 74.14 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 p -73.64 153.71 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 70.22 110.854 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.4 -22.21 64.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 64.41 110.834 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -95.82 26.18 4.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 65.3 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -106.19 107.56 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.5 110.923 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -110.8 -74.38 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.915 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -154.78 -179.15 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.896 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.16 68.36 1.87 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 61.3 110.916 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.87 55.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 63.23 112.348 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.7 p -55.73 123.16 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 71.24 111.108 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -67.54 97.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 54.14 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.9 mt -73.7 -26.54 60.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.934 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -92.45 52.08 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 60.34 110.851 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 65.13 111.068 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mmm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.808 0.337 . . . . 73.54 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.8 p -76.87 159.91 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.11 111.159 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.432 HD11 ' HG ' ' A' ' 12' ' ' LEU . 7.1 mt -70.77 154.23 94.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 63.54 110.915 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -18.77 36.96 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.669 2.246 . . . . 63.54 112.343 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -74.72 -19.36 60.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 50.34 110.86 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.33 0.85 31.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 74.1 112.484 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.87 149.6 37.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.721 . . . . 72.42 110.867 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.608 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.79 125.13 11.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 52.41 112.341 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -49.55 57.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.912 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -55.23 -32.8 62.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 52.33 110.837 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.43 -46.45 22.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.886 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.797 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.3 mm? -58.41 -47.05 85.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 60.3 110.882 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mm -59.03 -44.84 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 40.44 111.11 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -41.25 83.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.921 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.745 ' HB3' HD11 ' A' ' 110' ' ' LEU . 31.6 mttm -64.52 -49.8 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.859 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.797 ' CE2' HD12 ' A' ' 12' ' ' LEU . 16.3 m-85 -58.97 -29.63 67.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 64.41 110.859 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -61.76 -21.73 64.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 63.32 111.171 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.02 -8.15 59.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 50.34 111.169 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.822 HD11 HD22 ' A' ' 110' ' ' LEU . 36.0 mt -105.05 3.7 30.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 65.33 110.909 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.1 -151.14 17.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 73.53 112.462 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.5 21.37 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.273 . . . . 53.5 112.325 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -62.39 124.05 19.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 64.51 110.896 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.8 mp -74.99 134.76 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 73.31 111.15 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -80.39 93.6 6.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.856 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 165.97 24.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.869 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.89 -163.24 31.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 64.14 112.474 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -128.69 80.64 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 74.1 110.901 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.1 m 56.02 28.51 12.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.872 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -118.6 137.06 53.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.34 110.894 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -67.22 121.51 15.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.843 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -173.49 176.89 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.885 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -98.1 154.67 17.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 75.22 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -61.43 156.42 19.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.913 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.7 t80 -113.9 126.6 55.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.12 110.856 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -128.29 120.79 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 74.42 110.843 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -106.96 111.87 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.04 110.828 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -107.15 127.37 53.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 70.33 110.856 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.6 mt -110.96 105.49 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 72.3 110.97 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.18 -55.45 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 50.3 111.123 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.05 149.8 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.077 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.75 134.41 34.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 52' ' ' GLU . 6.6 p -81.39 -27.35 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 71.34 111.185 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -174.78 119.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 33.31 110.879 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' VAL . 9.1 t -125.89 -1.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.11 111.081 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.652 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 18.9 mttt -65.99 -51.74 44.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 74.31 110.905 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.5 Cg_endo -69.81 179.13 3.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 61.11 112.346 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.46 159.97 1.08 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.69 . . . . 74.13 111.141 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.3 Cg_endo -69.73 -24.0 30.31 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.688 2.258 . . . . 75.12 112.39 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -63.68 -25.6 68.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.908 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -111.68 17.05 20.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.909 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -88.35 128.7 35.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.03 110.832 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.585 ' O ' HG12 ' A' ' 42' ' ' VAL . 31.5 mt-10 -137.06 163.66 30.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 73.5 110.878 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -131.0 166.25 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 65.12 110.905 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.548 ' CZ3' HD13 ' A' ' 87' ' ' ILE . 27.2 m95 -90.62 159.63 16.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.941 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.8 151.1 6.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 72.13 112.463 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 -103.38 120.13 40.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.744 0.307 . . . . 71.32 110.978 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 22.3 m0 -54.44 134.55 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 75.31 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.446 ' SD ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -121.61 112.1 18.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.03 110.909 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.02 124.25 51.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 72.45 110.902 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.786 HD13 ' CE2' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -134.56 148.42 50.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.916 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -137.93 114.97 10.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 75.02 110.865 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.37 113.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.078 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -77.62 -174.4 3.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.912 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.32 -57.85 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.875 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -138.6 26.88 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.886 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.782 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 21.9 ptt180 -152.02 -179.57 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.886 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -127.18 151.52 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.879 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -141.69 138.47 32.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 61.1 111.114 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.786 ' CE2' HD13 ' A' ' 60' ' ' LEU . 17.6 m-85 -126.18 171.22 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.01 110.885 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -142.38 144.36 33.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 74.21 110.896 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -113.9 110.7 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.939 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -129.22 143.83 51.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -91.73 138.62 31.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.05 110.852 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.74 -142.08 3.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 65.24 112.483 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.949 HD13 HG11 ' A' ' 85' ' ' VAL . 2.7 tp -145.52 145.83 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 62.44 110.897 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -121.81 110.65 16.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.22 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.56 169.98 9.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 60.25 110.912 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -81.5 -29.27 33.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 54.12 110.877 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -84.2 -9.79 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 60.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.09 18.16 72.73 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.711 . . . . 54.43 112.487 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -86.53 121.39 29.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 73.42 110.907 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -66.23 122.56 17.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 71.33 110.921 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -136.97 106.34 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 62.04 111.154 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.9 m -67.45 119.14 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 71.32 111.125 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.949 HG11 HD13 ' A' ' 75' ' ' LEU . 7.2 p -148.28 133.87 9.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 51.2 111.151 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.443 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.6 Cg_endo -69.82 140.4 42.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.27 . . . . 75.22 112.342 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.548 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 35.2 mm -64.85 148.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.5 111.176 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.05 -173.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.914 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -49.86 168.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.877 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.0 t -50.7 -29.35 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 61.5 111.182 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.15 -41.46 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.887 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.3 t -81.46 -31.86 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 74.33 111.113 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -34.75 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.191 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.26 -27.65 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.934 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -69.96 -45.25 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 64.55 110.866 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.77 -35.2 72.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.954 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -56.95 -33.89 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -68.99 -47.94 64.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.894 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.4 p -63.18 -35.57 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 34.15 111.136 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 101' ' ' ARG . 2.2 tt -57.89 -44.2 86.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.95 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.407 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.6 tpt180 -69.06 -45.33 70.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 43.32 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -62.64 -29.44 70.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 64.24 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -41.61 91.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -70.38 -32.64 70.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.19 -48.23 44.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 60.23 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -62.44 -32.13 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 70.02 110.888 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.589 HD22 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -69.54 -35.48 75.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.907 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.531 ' HD3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -54.32 -46.96 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.91 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.498 ' HA ' HD12 ' A' ' 112' ' ' ILE . 25.4 t0 -55.72 -46.88 77.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 55.41 110.915 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.822 HD22 HD11 ' A' ' 19' ' ' LEU . 11.8 tp -61.54 -51.87 66.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.886 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 107' ' ' LEU . 1.1 mp -59.46 -32.48 70.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 52.11 110.906 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.531 HD11 ' HD3' ' A' ' 108' ' ' ARG . 23.0 mt -63.28 -30.15 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.01 111.155 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.6 t -69.54 -30.19 67.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 62.44 110.877 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.679 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -98.22 -5.84 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 43.12 110.897 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 63.7 48.64 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 60.34 110.869 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.5 mm? -102.95 173.93 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 60.23 110.89 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.782 ' HB3' ' HB2' ' A' ' 66' ' ' ARG . . . -104.19 144.71 31.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 62.15 111.091 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.579 HD13 ' HE1' ' A' ' 69' ' ' TYR . 17.2 tp -129.74 117.33 20.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 70.4 110.897 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -147.45 159.97 40.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.674 0.75 . . . . 65.22 110.867 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.4 14.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 71.14 112.369 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.7 p -73.36 133.13 43.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 71.13 110.866 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -62.76 -17.02 60.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 62.52 110.894 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -91.98 13.89 17.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.05 110.922 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -94.81 130.87 41.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.91 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -99.14 -175.03 2.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -70.78 -173.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.869 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 63.09 70.54 0.73 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.651 0.739 . . . . 74.42 110.915 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.99 55.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 54.31 112.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.479 ' O ' HD12 ' A' ' 131' ' ' LEU . 8.9 p -54.18 128.91 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 64.35 111.121 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -79.1 97.84 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 45.42 110.886 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 129' ' ' VAL . 5.4 mp -73.64 -26.03 60.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.935 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.0 m -103.92 52.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 63.24 110.879 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 31.44 111.091 179.904 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.83 0.348 . . . . 74.33 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.5 p -136.9 154.28 50.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 64.3 111.114 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.435 HD21 ' HG3' ' A' ' 9' ' ' LYS . 3.8 mt -75.74 155.02 85.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.585 0.707 . . . . 74.15 110.902 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 3' ' ' LEU . 54.0 Cg_endo -69.77 -17.44 37.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.242 . . . . 71.25 112.336 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -75.57 -20.99 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.884 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.29 3.2 31.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 52.42 112.516 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 149.16 36.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 62.53 110.864 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.647 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.77 124.78 11.41 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 72.1 112.34 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HG3' HD21 ' A' ' 3' ' ' LEU . 37.7 tttt -70.06 -52.2 25.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.884 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 p -54.18 -44.2 71.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 52.4 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -61.72 -45.7 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.865 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.807 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.8 mm? -58.01 -41.95 84.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 61.43 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mm -59.89 -45.63 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.13 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -68.03 -39.0 83.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.877 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.482 ' HB3' HD11 ' A' ' 110' ' ' LEU . 13.9 mtmt -64.96 -51.0 64.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 55.51 110.878 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.807 ' CE2' HD12 ' A' ' 12' ' ' LEU . 16.8 m-85 -59.1 -30.2 67.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 74.43 110.903 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.1 m -59.77 -21.94 61.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 62.31 111.148 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.94 -7.41 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.12 111.127 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.82 HD11 HD22 ' A' ' 110' ' ' LEU . 69.3 mt -104.61 4.46 32.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 65.14 110.923 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.99 -152.16 17.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 63.31 112.493 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 169.16 19.6 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.71 2.273 . . . . 63.35 112.346 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -61.78 125.59 24.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 75.41 110.931 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 23' ' ' ILE . 5.1 mp -77.97 143.14 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.112 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -85.41 127.69 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 73.43 110.831 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.37 -61.29 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.873 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.75 174.11 32.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 72.44 112.478 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -110.56 -28.04 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 73.33 110.918 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 m -70.54 151.43 45.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 52.24 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -119.27 159.98 23.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.889 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 52.26 61.99 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 71.43 110.86 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -141.37 -178.15 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.864 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -98.05 141.78 30.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.899 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -57.32 148.48 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 54.13 110.876 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -144.13 128.48 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 70.35 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.72 156.15 32.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 62.33 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.74 111.61 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 75.15 110.874 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.8 m -107.56 82.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.58 HD22 ' HD1' ' A' ' 53' ' ' PHE . 6.9 mt -84.5 134.74 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 71.53 110.895 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.66 ' HB1' ' HG2' ' A' ' 95' ' ' ARG . . . -121.58 -50.3 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.108 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -142.12 148.52 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 42.54 111.083 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -89.32 154.11 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 71.32 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.696 HG12 ' CE2' ' A' ' 54' ' ' TRP . 19.1 m -80.53 -30.69 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 70.24 111.121 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -178.6 154.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 44' ' ' VAL . 9.7 p -128.55 1.89 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 63.31 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.528 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.6 mtmp? -51.52 -58.28 11.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 61.23 110.906 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.4 Cg_endo -69.78 -172.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.229 . . . . 70.45 112.331 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.726 ' HB3' ' HB2' ' A' ' 50' ' ' LYS . . . -51.65 160.05 1.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 52.21 111.101 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.74 -48.5 0.71 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.706 2.27 . . . . 73.21 112.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -80.24 -1.44 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.911 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.726 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 8.2 mtpm? -107.95 17.1 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 63.03 110.896 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 48' ' ' PRO . 17.3 ptt180 -110.73 158.38 18.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 63.44 110.848 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' OE1' HD21 ' A' ' 75' ' ' LEU . 4.1 mt-10 -113.42 166.95 11.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.858 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.58 ' HD1' HD22 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -143.29 148.56 36.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 72.14 110.88 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.696 ' CE2' HG12 ' A' ' 42' ' ' VAL . 88.0 m95 -80.87 159.9 24.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.926 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.757 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . 152.74 160.41 9.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.43 112.5 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.622 ' CD2' HD12 ' A' ' 100' ' ' LEU . 10.9 p-90 -125.33 133.52 52.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 75.44 110.898 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -83.37 173.19 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 71.34 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.22 111.4 12.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.884 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.28 129.46 56.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.892 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.735 HD13 ' CE2' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -136.45 159.69 41.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 63.42 110.94 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 68' ' ' THR . 3.6 tt0 -128.65 111.18 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 55.11 110.893 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.14 112.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 74.45 111.064 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -78.05 -176.65 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 73.12 110.898 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.52 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.86 41.72 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.921 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.74 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 16.5 ptt180 -168.43 -179.76 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.861 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.418 ' HD1' HD12 ' A' ' 116' ' ' LEU . 1.8 m-85 -130.67 152.69 49.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 73.01 110.929 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 61' ' ' GLU . 9.4 t -134.73 142.18 46.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 71.03 111.149 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.735 ' CE2' HD13 ' A' ' 60' ' ' LEU . 47.1 m-85 -133.57 172.23 13.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.926 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -152.97 160.61 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 74.22 110.842 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -119.15 110.83 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.41 110.92 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -136.12 132.67 36.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.23 110.934 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CE1' HD13 ' A' ' 100' ' ' LEU . 9.8 m-85 -91.76 164.86 13.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 62.51 110.888 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.74 -162.82 34.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 54.31 112.506 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.709 HD13 HG21 ' A' ' 85' ' ' VAL . 1.3 tt -145.33 145.7 31.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 62.54 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -94.67 121.24 36.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.12 110.856 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.71 169.98 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 73.33 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -81.0 -25.35 37.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.908 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -78.41 -9.76 59.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.928 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.08 18.5 79.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 60.31 112.476 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -103.23 139.27 38.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 75.33 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -51.96 121.81 7.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.41 110.912 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 m -145.61 106.29 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.164 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 84' ' ' VAL . 17.3 m -93.82 120.7 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 73.43 111.108 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.709 HG21 HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -128.56 157.82 73.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.608 0.718 . . . . 72.44 111.135 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.31 56.66 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.738 2.292 . . . . 72.53 112.342 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.412 HD13 ' CE3' ' A' ' 54' ' ' TRP . 35.0 mm -87.32 116.23 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.14 111.155 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -89.24 149.85 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.835 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.1 113.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -52.09 -31.85 32.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 73.41 111.119 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.48 -36.03 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.881 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.422 ' O ' HD23 ' A' ' 96' ' ' LEU . 96.4 t -79.96 -32.91 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 73.34 111.169 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -34.63 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 70.44 111.109 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.41 -29.06 64.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 65.32 110.864 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.66 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 21.3 tpp180 -73.53 -39.88 64.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.852 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.757 HD11 ' HA2' ' A' ' 55' ' ' GLY . 4.1 mm? -69.12 -41.8 76.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 62.24 110.912 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.494 ' HG3' HD23 ' A' ' 131' ' ' LEU . 33.4 tt0 -66.52 -36.92 83.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.51 110.891 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -60.54 -50.4 73.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.947 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -39.49 63.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 64.13 111.157 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.747 HD21 HG21 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -62.36 -51.33 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 70.01 110.939 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -60.52 -39.34 87.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 73.22 110.859 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.95 -28.8 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.891 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -48.27 80.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.863 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -40.69 70.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.862 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -72.04 -47.22 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 64.21 110.92 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -32.58 72.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.879 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.691 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -70.92 -35.8 72.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.921 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -45.55 72.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.876 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 112' ' ' ILE . 11.1 t70 -56.03 -46.04 78.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 64.25 110.87 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.82 HD22 HD11 ' A' ' 19' ' ' LEU . 12.0 tp -58.84 -50.63 73.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.924 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.724 HD21 ' OH ' ' A' ' 69' ' ' TYR . 72.5 mt -63.54 -37.68 88.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 41.52 110.88 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 109' ' ' ASP . 25.2 mt -60.72 -38.78 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.099 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -73.82 -20.51 60.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 52.13 110.874 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.501 ' HB3' HD23 ' A' ' 116' ' ' LEU . 6.4 mtm -96.84 -8.11 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 71.4 110.855 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.93 38.77 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 73.33 110.908 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' A' ' 114' ' ' MET . 3.4 mm? -103.28 135.99 43.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 63.44 110.909 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.74 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -67.87 136.11 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 64.33 111.093 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.482 ' HB2' HD13 ' A' ' 111' ' ' LEU . 27.0 tp -129.62 143.06 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 63.11 110.957 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -155.44 160.05 31.18 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.739 . . . . 63.31 110.867 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 171.34 14.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 74.42 112.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 m -57.05 179.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 52.12 110.879 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -67.44 -31.98 72.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.11 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -111.81 26.3 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -130.64 152.67 49.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 62.43 110.848 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -114.36 179.4 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 62.11 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -71.3 88.78 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.843 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -164.64 160.73 15.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 72.01 110.906 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 143.8 52.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.675 2.25 . . . . 75.54 112.375 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.747 HG21 HD21 ' A' ' 100' ' ' LEU . 6.2 p -55.34 114.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 72.41 111.136 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -96.79 96.53 8.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.909 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.494 HD23 ' HG3' ' A' ' 97' ' ' GLU . 3.2 mm? -74.31 -36.09 63.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.888 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.1 t -95.35 65.06 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.845 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 70.33 111.082 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 72.43 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -76.25 156.75 33.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.33 111.144 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.516 HD12 ' OG ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -96.34 161.09 28.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 54.42 110.907 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 3' ' ' LEU . 53.7 Cg_endo -69.78 -14.54 36.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.242 . . . . 71.5 112.364 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.516 ' OG ' HD12 ' A' ' 3' ' ' LEU . 1.3 p -61.58 -24.0 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 64.14 110.877 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.09 -25.81 17.28 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 55.02 112.462 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.423 ' HB2' HD21 ' A' ' 12' ' ' LEU . 41.7 m-70 -86.13 152.32 55.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 73.21 110.875 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.42 19.3 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 64.11 112.344 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HB2' HD23 ' A' ' 3' ' ' LEU . 12.5 tttp -63.4 -24.32 67.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 70.44 110.896 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.3 p -68.83 -39.17 80.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.857 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -78.36 -42.89 29.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 70.13 110.825 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.761 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.5 mm? -58.15 -49.38 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 42.42 110.939 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.617 HG21 ' HG2' ' A' ' 25' ' ' GLU . 28.3 mm -62.29 -43.25 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 61.54 111.112 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -65.34 -38.14 89.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.894 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HB3' HD11 ' A' ' 110' ' ' LEU . 1.7 mtmp? -71.57 -48.4 48.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.893 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.761 ' CE2' HD12 ' A' ' 12' ' ' LEU . 14.8 m-85 -59.1 -23.1 61.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 63.12 110.846 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.1 m -66.24 -21.84 66.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 54.14 111.151 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -7.27 58.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.01 111.075 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD11 HD22 ' A' ' 110' ' ' LEU . 44.2 mt -102.17 4.25 39.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.94 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.13 -150.38 16.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.683 -0.77 . . . . 73.32 112.464 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.8 20.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 71.12 112.345 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -62.12 122.08 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 75.34 110.962 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.6 mp -73.89 141.59 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.12 111.135 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -83.44 93.34 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.32 110.89 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.617 ' HG2' HG21 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -97.78 124.72 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 72.35 110.936 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.75 -152.99 7.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 71.24 112.492 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -87.66 142.93 27.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 60.14 110.931 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -174.11 138.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.5 -39.87 94.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.957 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.37 146.13 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 44.42 110.84 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -105.59 79.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -139.93 154.46 47.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.908 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -105.75 111.08 23.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.856 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -112.13 128.1 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 64.11 110.897 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -120.55 146.58 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 74.51 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -107.03 112.71 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -106.4 143.83 33.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.917 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 76' ' ' PHE . 60.5 mt -111.02 118.43 36.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 64.25 110.893 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.03 -68.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 40.54 111.066 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.7 t -140.66 136.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 72.13 111.118 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.5 m -75.55 147.99 39.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 75.02 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 52' ' ' GLU . 99.3 t -61.31 -51.88 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 54.22 111.123 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.441 ' OD1' HG12 ' A' ' 42' ' ' VAL . 18.9 m-20 -130.32 164.59 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 70.1 110.892 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -119.91 -32.09 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.151 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 6.9 mttt -52.5 -58.36 12.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 64.43 110.895 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.75 -171.38 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.725 2.283 . . . . 63.53 112.322 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 50' ' ' LYS . . . -81.77 159.93 65.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.69 . . . . 63.35 111.088 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.74 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 70.23 112.339 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -70.67 -21.19 62.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.876 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 59.1 mttt -84.11 -14.0 51.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 71.53 110.9 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -121.28 159.68 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.546 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.2 mp0 -92.47 164.8 13.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 63.24 110.846 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -125.07 154.58 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 74.3 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.566 ' HZ3' HG23 ' A' ' 85' ' ' VAL . 75.6 m95 -88.85 144.89 25.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.33 132.27 1.4 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.752 -0.737 . . . . 71.54 112.513 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -89.41 129.49 35.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 75.13 110.942 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -82.98 146.62 28.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.946 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.667 ' CE ' HD23 ' A' ' 60' ' ' LEU . 4.8 tmm? -113.37 112.83 24.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 25.54 110.857 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.36 113.53 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.895 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.667 HD23 ' CE ' ' A' ' 58' ' ' MET . 3.7 pp -117.34 155.29 29.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.923 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -122.36 111.38 16.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 64.35 110.932 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.61 113.7 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.4 111.137 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -78.27 -173.77 3.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 70.22 110.947 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -54.11 -64.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 72.54 110.912 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.17 37.83 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 75.15 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.729 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 10.8 ptt180 -163.21 172.41 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.21 110.892 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.634 ' HB3' HD21 ' A' ' 111' ' ' LEU . 2.2 m-85 -127.85 144.6 51.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.879 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -141.53 136.21 30.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 75.23 111.171 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -124.63 172.56 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.909 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 mtt85 -145.42 153.16 40.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 71.33 110.889 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -91.57 117.68 29.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 70.12 110.916 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -135.81 117.62 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 71.33 110.891 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -93.37 158.59 15.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 62.2 110.868 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 176.27 -143.3 6.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.496 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 85' ' ' VAL . 2.9 tt -145.18 145.49 31.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.342 . . . . 75.31 110.922 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CD2' HD21 ' A' ' 38' ' ' LEU . 74.5 t80 -101.33 95.4 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.846 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.22 171.54 12.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.908 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -81.34 -24.99 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 64.1 110.902 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.19 -9.77 59.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.55 19.33 77.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 71.34 112.451 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -98.01 158.81 15.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 55.53 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -68.56 121.8 17.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 52.21 110.919 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.7 m -145.74 111.27 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 63.34 111.117 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 84' ' ' VAL . 16.7 m -97.71 120.38 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.133 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.766 HG21 HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -136.67 157.87 74.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.73 . . . . 74.5 111.098 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 149.72 66.85 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.248 . . . . 72.13 112.369 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.4 mm -93.05 115.36 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 71.05 111.146 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -87.11 152.09 22.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.02 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.09 104.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.909 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.2 t -54.45 -27.94 40.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 65.43 111.148 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -54.17 -35.98 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 61.44 110.908 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -78.67 -46.08 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.118 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -33.2 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.142 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.92 -34.35 77.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.581 ' O ' HG23 ' A' ' 99' ' ' THR . 20.4 tpp85 -66.61 -35.97 81.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 72.14 110.825 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.75 -40.94 75.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.932 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.45 -38.38 84.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 64.34 110.901 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -69.63 -50.78 40.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 64.33 110.889 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 95' ' ' ARG . 33.0 p -64.01 -27.64 69.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.119 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 tt -58.52 -48.27 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 61.35 110.892 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -47.51 65.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 54.2 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -57.74 -29.38 64.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.935 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -64.68 -43.53 93.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.907 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.561 ' NE2' HD21 ' A' ' 118' ' ' LEU . 20.1 t-80 -70.2 -32.83 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 72.22 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -49.03 76.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.895 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -74.15 -32.5 63.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 63.23 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.618 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -67.48 -35.49 79.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.856 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.74 ' HD3' HD22 ' A' ' 118' ' ' LEU . 26.7 tpt180 -66.58 -44.44 82.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 63.43 110.883 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -56.16 -46.78 79.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.821 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.743 HD22 HD11 ' A' ' 19' ' ' LEU . 12.2 tp -59.31 -51.7 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.928 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.634 HD21 ' HB3' ' A' ' 67' ' ' PHE . 1.7 mp -59.42 -32.57 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 65.32 110.868 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.08 -30.3 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.49 -30.56 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 72.04 110.888 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.664 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -96.26 -4.65 41.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.912 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 63.29 48.91 3.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.865 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.664 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.1 mm? -103.14 133.1 48.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.857 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.729 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -62.04 140.65 58.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 64.4 111.136 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.74 HD22 ' HD3' ' A' ' 108' ' ' ARG . 6.2 tp -121.84 141.56 51.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.937 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -145.64 160.23 45.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 74.25 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.35 14.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.262 . . . . 71.23 112.342 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.0 t -81.66 129.72 34.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 61.55 110.85 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -61.77 -18.01 58.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 73.44 110.819 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -76.81 -9.34 58.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.874 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -106.95 136.0 47.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -123.94 74.36 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.881 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.0 t0 53.55 40.73 31.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.867 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -144.53 68.53 14.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 73.24 110.917 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.18 68.85 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 2.258 . . . . 70.51 112.321 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.497 HG23 HD22 ' A' ' 131' ' ' LEU . 16.5 m -53.93 147.83 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.53 111.158 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -75.67 97.49 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 65.45 110.964 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.497 HD22 HG23 ' A' ' 129' ' ' VAL . 4.5 mm? -73.14 -27.6 61.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 75.24 110.919 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 94.2 p -105.25 58.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.867 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 71.12 111.088 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.882 0.373 . . . . 74.15 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -88.33 159.92 17.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 75.05 111.151 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.07 153.82 91.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 74.35 110.885 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -17.23 37.81 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 41.43 112.323 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -18.94 58.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.861 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.33 1.17 31.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 73.43 112.538 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.65 150.25 37.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 65.35 110.892 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.609 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.6 Cg_endo -69.8 125.32 11.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.264 . . . . 72.31 112.336 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -69.21 -50.13 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.7 t -54.49 -36.69 64.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 61.24 110.838 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -46.14 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.853 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.785 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.3 mm? -58.96 -48.86 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.906 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mm -55.7 -48.04 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.13 111.152 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -65.35 -47.33 76.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 64.35 110.919 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HB3' HD11 ' A' ' 110' ' ' LEU . 9.7 mtpt -57.59 -49.71 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 71.42 110.946 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.785 ' CE2' HD12 ' A' ' 12' ' ' LEU . 15.9 m-85 -58.9 -33.36 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.41 110.875 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.6 m -63.3 -21.15 66.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 51.52 111.109 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.52 57.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 70.33 111.092 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.979 HD11 HD22 ' A' ' 110' ' ' LEU . 10.0 mt -105.36 4.06 30.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 73.11 110.861 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.13 -145.99 10.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 62.51 112.498 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 165.09 32.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 2.263 . . . . 73.14 112.35 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -63.45 141.37 58.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 55.31 110.931 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.7 mp -94.05 136.35 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 62.1 111.132 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.23 93.78 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.907 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.74 159.3 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.43 110.905 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.95 142.7 9.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 60.43 112.516 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -116.42 55.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 65.33 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 p -119.0 -38.15 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.905 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -158.05 172.44 18.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 62.03 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -74.9 123.11 24.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.813 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -153.97 177.3 11.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 62.34 110.867 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -98.79 160.49 14.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.882 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -68.74 133.45 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 62.24 110.917 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.478 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.8 m-85 -101.02 122.21 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 71.15 110.869 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -112.76 134.85 54.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 64.12 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -106.77 112.64 25.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 60.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.3 m -106.18 105.76 15.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.912 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.3 mt -110.7 89.7 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.938 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.04 -57.44 2.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 62.41 111.14 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.821 HG21 HG13 ' A' ' 92' ' ' VAL . 3.0 m -138.09 159.42 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 71.41 111.111 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.0 p -83.05 149.68 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.885 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.509 HG12 ' OD1' ' A' ' 43' ' ' ASN . 59.2 t -80.06 -36.81 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 63.34 111.109 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.509 ' OD1' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -178.16 154.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 74.2 110.879 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.48 -11.58 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.14 111.142 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.532 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 12.7 mtpt -51.56 -58.27 11.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 74.2 110.86 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.76 160.09 50.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 73.2 112.378 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.67 160.07 1.14 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 71.41 111.08 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.79 -30.65 21.8 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.663 2.242 . . . . 54.33 112.373 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -63.65 -25.6 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.878 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -111.05 16.99 20.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 53.31 110.891 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 25.0 ttm180 -72.11 152.04 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 73.24 110.859 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.751 ' HB3' HD11 ' A' ' 75' ' ' LEU . 34.6 mt-10 -135.76 154.0 51.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.12 110.878 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -129.21 148.21 51.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.24 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.549 ' HD1' HG23 ' A' ' 40' ' ' VAL . 80.9 m95 -80.98 155.44 26.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.91 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.02 -178.97 39.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 60.22 112.527 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -133.33 119.97 20.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 72.24 110.915 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -86.16 130.15 34.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 73.05 110.895 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -122.06 116.73 24.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 45.23 110.894 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -113.41 116.85 30.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.905 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -126.55 159.45 33.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 75.34 110.89 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -128.15 117.0 20.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 71.52 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.4 138.81 20.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 61.21 111.139 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.02 -177.9 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 45.41 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -49.89 -59.77 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.15 110.878 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' O ' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -135.46 8.48 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.903 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.585 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 56.4 mtm180 -122.11 178.07 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.835 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.722 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -146.5 131.59 18.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.846 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -108.46 164.19 12.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 73.35 111.151 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -157.5 143.52 17.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 73.53 110.957 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -149.29 127.5 12.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 75.31 110.902 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD1' HD11 ' A' ' 100' ' ' LEU . 9.1 p90 -111.49 139.58 46.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.933 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -135.69 145.01 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -91.9 156.6 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.887 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.68 -134.75 4.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 55.42 112.507 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 52' ' ' GLU . 16.9 tp -144.8 143.55 30.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.54 110.876 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.636 ' H ' HD12 ' A' ' 75' ' ' LEU . 15.2 t80 -103.68 96.45 6.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.15 110.854 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.89 170.47 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 70.33 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -20.53 42.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.17 -9.67 59.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 44.34 110.857 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.49 19.12 76.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 72.53 112.502 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -100.66 137.54 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 73.35 110.887 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 15.5 m0 -51.96 121.66 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 63.52 110.964 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.1 m -140.64 108.24 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 75.11 111.152 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 84' ' ' VAL . 16.6 m -97.45 120.13 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 73.24 111.146 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.542 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -127.76 158.02 71.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 70.45 111.174 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.22 50.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.708 2.272 . . . . 63.12 112.363 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -97.1 115.34 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 64.52 111.11 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -94.97 155.68 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.98 101.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 70.42 110.921 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -52.86 -27.95 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.107 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.05 -35.17 61.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 71.23 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.821 HG13 HG21 ' A' ' 40' ' ' VAL . 62.2 t -78.97 -45.91 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.23 111.168 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -33.08 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 51.33 111.109 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -69.91 -32.78 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 65.23 110.914 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -74.56 -35.09 63.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.898 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.511 HD23 HG12 ' A' ' 92' ' ' VAL . 4.4 mm? -70.81 -45.21 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 62.33 110.931 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.22 -38.66 92.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.9 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -65.93 -47.29 75.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.946 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 p -59.7 -24.88 64.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 71.34 111.178 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.605 HD11 ' CD1' ' A' ' 71' ' ' TYR . 1.6 tt -74.79 -40.72 60.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.949 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -71.06 -49.78 41.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.05 110.841 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -33.61 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 70.43 110.906 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.521 ' CE1' HD23 ' A' ' 107' ' ' LEU . 14.0 t80 -72.79 -34.21 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 64.32 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -41.4 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.869 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.57 -47.84 84.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 74.44 110.908 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -65.97 -31.93 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 60.53 110.954 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.743 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.7 -35.93 82.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 63.34 110.93 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' HG2' HD11 ' A' ' 112' ' ' ILE . 27.2 ttt180 -60.01 -41.91 93.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 54.44 110.88 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.407 ' HA ' HD12 ' A' ' 112' ' ' ILE . 34.0 t70 -56.19 -46.42 79.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 64.55 110.873 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.979 HD22 HD11 ' A' ' 19' ' ' LEU . 51.6 tp -58.71 -50.06 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.92 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.685 HD21 HD13 ' A' ' 118' ' ' LEU . 7.2 mp -63.84 -36.83 85.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.92 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.413 HD11 ' HG2' ' A' ' 108' ' ' ARG . 25.0 mt -61.74 -37.01 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 54.45 111.127 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -73.57 -23.24 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.861 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.2 mtm -96.06 -5.06 41.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.888 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 64.04 42.68 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 70.52 110.921 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 65' ' ' LYS . 3.5 mm? -109.73 138.14 46.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.933 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.585 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -83.76 139.46 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 72.12 111.115 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 67' ' ' PHE . 14.6 tp -129.76 121.1 26.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 63.52 110.891 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -147.56 159.8 40.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.721 . . . . 74.41 110.904 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 171.33 14.59 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.715 2.276 . . . . 64.33 112.361 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.3 m -110.58 125.19 53.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 53.45 110.883 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.25 -22.73 53.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.87 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -95.9 26.41 4.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.866 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -94.59 108.31 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.878 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -122.71 112.49 18.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.908 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -173.78 175.73 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 60.1 110.831 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -113.88 73.81 2.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 73.4 110.89 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.11 54.64 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 74.05 112.345 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 5.3 m -53.84 155.65 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 61.33 111.118 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -95.42 98.59 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.14 -31.05 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 65.01 110.908 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.0 t -89.67 64.73 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 64.12 110.903 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 72.44 111.105 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.863 0.363 . . . . 60.54 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.6 p -134.23 153.83 51.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 72.2 111.097 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 62' ' ' ALA . 9.0 mp -74.09 161.0 80.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.565 0.697 . . . . 65.14 110.918 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -26.26 27.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.229 . . . . 75.35 112.347 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.61 -19.64 55.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 72.53 110.871 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.36 8.07 27.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 64.24 112.482 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.8 153.07 45.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.613 0.72 . . . . 75.51 110.834 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' HD13 ' A' ' 12' ' ' LEU . 53.4 Cg_endo -69.78 124.29 10.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 73.22 112.339 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -70.66 -57.17 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 52.14 110.929 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.7 m -54.16 -45.94 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.88 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -62.03 -34.91 77.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 75.14 110.904 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 8' ' ' PRO . 3.0 mp -73.22 -49.29 28.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.856 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.94 -41.56 77.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 63.34 111.124 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -67.91 -40.5 83.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.887 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB3' HD11 ' A' ' 110' ' ' LEU . 13.2 mtmm -68.0 -44.06 77.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 54.23 110.902 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 110' ' ' LEU . 18.1 m-85 -58.75 -26.6 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.834 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.1 m -63.13 -21.25 66.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 62.13 111.187 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -7.26 58.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 64.51 111.071 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.005 HD11 HD22 ' A' ' 110' ' ' LEU . 42.5 mt -103.74 4.32 35.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.907 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.24 -150.88 19.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.755 . . . . 72.23 112.476 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.4 18.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 60.21 112.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -61.38 132.53 53.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.947 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 23' ' ' ILE . 5.0 mp -79.34 143.86 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 74.25 111.123 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -82.31 93.96 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 71.42 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -51.88 -31.79 29.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.863 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.25 154.74 0.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 55.31 112.465 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -85.79 -49.07 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 72.01 110.928 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.17 160.11 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.872 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -90.99 88.0 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.888 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.8 151.93 31.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 43.42 110.873 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.12 41.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.918 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -138.03 156.91 47.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.866 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -112.76 122.23 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 64.15 110.926 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -93.39 149.18 21.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 65.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -148.73 116.35 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.865 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.08 111.99 24.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 70.32 110.876 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 p -107.06 129.47 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 61.21 110.882 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.401 HD22 ' HD2' ' A' ' 53' ' ' PHE . 15.7 mt -105.63 90.52 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.55 110.937 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.69 -70.51 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 72.35 111.113 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.689 HG21 HG13 ' A' ' 92' ' ' VAL . 2.4 m -126.36 157.63 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 73.5 111.12 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 t -89.79 135.89 33.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 61.41 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.781 HG12 ' CE2' ' A' ' 54' ' ' TRP . 17.3 m -56.27 -39.64 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 75.12 111.127 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -178.14 171.05 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.0 m -135.18 13.27 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.23 111.129 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -67.21 -58.37 9.13 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.612 0.72 . . . . 72.35 110.912 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.74 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 71.12 112.359 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -72.43 159.96 84.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 40.02 111.091 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.72 -23.87 30.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 72.03 112.347 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -63.57 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 63.45 110.873 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -113.61 17.14 18.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.14 110.872 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.11 144.26 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.85 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.638 ' HB3' HD11 ' A' ' 75' ' ' LEU . 21.7 mt-10 -136.99 166.76 22.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.89 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HD2' HD22 ' A' ' 38' ' ' LEU . 16.3 m-85 -136.22 146.25 46.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.904 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.781 ' CE2' HG12 ' A' ' 42' ' ' VAL . 79.1 m95 -80.81 155.63 26.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 73.53 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.631 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . 163.73 150.29 6.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.779 -0.724 . . . . 71.21 112.492 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.414 ' HD1' HD12 ' A' ' 96' ' ' LEU . 38.3 p-90 -114.92 129.58 56.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.301 . . . . 73.3 110.937 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -91.37 175.59 6.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 72.14 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.8 116.97 7.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.867 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.75 112.35 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.889 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.527 HD12 ' HE1' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -134.94 160.06 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.968 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -137.03 126.8 25.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 51.22 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.548 ' HB3' HD23 ' A' ' 3' ' ' LEU . . . -49.5 118.93 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.09 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.28 175.54 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.22 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -64.29 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 64.42 110.927 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 36.34 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 72.15 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.867 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 8.0 ptp180 -168.66 -179.38 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.33 110.879 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.527 ' HE1' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -136.87 145.12 44.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.89 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.4 t -126.69 164.38 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.02 111.114 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -151.88 143.67 23.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.941 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -126.93 160.67 30.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -110.71 121.43 45.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.942 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -135.41 119.04 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 42.41 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -91.59 164.15 13.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.919 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.45 -164.64 35.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 64.42 112.473 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 52' ' ' GLU . 21.6 tp -123.26 143.49 50.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 63.35 110.94 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.6 ' H ' HD12 ' A' ' 75' ' ' LEU . 56.1 t80 -109.43 101.16 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.894 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -79.82 171.45 15.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 75.52 110.846 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -58.36 -29.16 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 65.11 110.887 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -88.67 -9.72 51.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.04 110.861 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.58 18.58 78.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 72.45 112.481 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.94 121.39 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 74.4 110.904 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -60.03 121.64 12.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.943 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.0 m -145.71 114.25 6.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 75.14 111.184 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.8 m -70.46 118.91 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 65.2 111.097 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.438 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.8 OUTLIER -133.28 158.17 76.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 64.12 111.163 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 146.52 60.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 74.44 112.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.91 146.49 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.23 111.161 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.408 ' HB2' HG21 ' A' ' 92' ' ' VAL . 3.2 m120 -57.35 -176.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 65.41 110.878 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 169.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 64.42 110.847 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -53.3 -27.43 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 71.34 111.161 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' HG3' HG23 ' A' ' 92' ' ' VAL . 10.5 pt-20 -53.39 -42.25 66.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.33 110.901 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.689 HG13 HG21 ' A' ' 40' ' ' VAL . 98.8 t -79.72 -48.75 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.34 -33.29 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 53.33 111.118 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.29 -36.6 84.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 53.4 110.908 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 99' ' ' THR . 17.1 tpp180 -62.88 -46.31 88.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 61.31 110.884 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.631 HD11 ' HA2' ' A' ' 55' ' ' GLY . 4.4 mm? -70.79 -37.28 73.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.919 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.48 -41.62 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.8 -37.94 89.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 70.25 110.947 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 95' ' ' ARG . 20.1 p -73.06 -28.4 62.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 74.15 111.091 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 101' ' ' ARG . 3.0 tt -60.25 -48.32 82.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.976 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.3 tpt85 -69.24 -34.88 75.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.916 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -71.87 -29.34 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 54.22 110.872 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -45.72 88.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.924 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -69.83 -32.28 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 64.53 110.883 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.93 -47.73 67.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.862 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -67.1 -33.18 74.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.852 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.526 HD12 HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -71.42 -33.98 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 41.32 110.916 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.462 ' HE ' HD11 ' A' ' 112' ' ' ILE . 10.3 mmm-85 -52.1 -42.82 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.856 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.63 -37.89 88.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.838 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.005 HD22 HD11 ' A' ' 19' ' ' LEU . 5.1 tp -69.16 -51.01 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.932 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.579 HD12 HD11 ' A' ' 118' ' ' LEU . 46.5 mt -63.42 -39.14 93.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 72.24 110.904 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.462 HD11 ' HE ' ' A' ' 108' ' ' ARG . 26.6 mt -64.95 -31.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.191 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.2 t -73.46 -24.26 60.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 64.13 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.557 ' HB3' HD23 ' A' ' 116' ' ' LEU . 12.4 mtm -92.14 -3.25 55.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.906 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 64.33 45.81 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.878 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 114' ' ' MET . 3.9 mm? -105.78 173.07 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 55.01 110.916 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.867 ' HB3' ' HB2' ' A' ' 66' ' ' ARG . . . -94.64 152.37 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.05 111.109 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.579 HD11 HD12 ' A' ' 111' ' ' LEU . 3.4 mm? -123.4 112.49 17.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.903 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.453 ' OE2' ' HB1' ' A' ' 117' ' ' ALA . 4.3 mp0 -126.82 157.04 72.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 73.35 110.929 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 170.73 15.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 74.54 112.364 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.1 m -76.19 142.08 41.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 60.23 110.871 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.01 -25.9 46.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 70.14 110.882 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -95.84 25.81 4.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.909 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -111.69 109.09 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -117.67 -66.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.878 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -158.26 177.35 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 74.51 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 57.71 68.47 1.92 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.659 0.742 . . . . 74.44 110.908 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 158.62 56.31 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.231 . . . . 73.51 112.362 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.21 123.97 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.142 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 133' ' ' ALA . 4.3 mptt -64.34 98.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.35 110.893 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.23 -36.6 78.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.899 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.6 m -100.57 64.82 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.898 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 130' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 72.14 111.111 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.348 . . . . 73.23 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.8 p -75.7 160.02 30.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 71.11 111.173 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.72 HD11 ' HG ' ' A' ' 12' ' ' LEU . 12.2 mt -63.83 154.13 81.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 70.24 110.911 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -17.08 37.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 71.3 112.326 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -17.97 50.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 53.23 110.816 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.91 28.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 71.1 112.499 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.84 149.22 36.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 72.32 110.849 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.642 ' O ' HD23 ' A' ' 12' ' ' LEU . 54.7 Cg_endo -69.73 127.23 14.32 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 74.14 112.358 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -32.99 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.935 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 p -68.27 -47.13 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.895 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -62.39 -41.31 98.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 73.25 110.866 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.741 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.4 mm? -60.06 -49.32 78.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.9 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.05 -48.36 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 73.25 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -35.05 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 70.32 110.888 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.764 ' HB3' HD11 ' A' ' 110' ' ' LEU . 6.2 mttp -72.97 -50.63 22.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 65.32 110.861 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.741 ' CE2' HD12 ' A' ' 12' ' ' LEU . 16.3 m-85 -59.0 -29.84 67.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 73.44 110.846 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.9 m -59.56 -21.89 60.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 73.32 111.154 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.19 -7.82 59.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.52 111.101 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.718 HD11 HD22 ' A' ' 110' ' ' LEU . 39.0 mt -104.74 4.28 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.91 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.56 -151.31 19.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 55.51 112.491 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.6 21.1 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 63.32 112.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.06 123.67 18.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.923 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.4 mp -72.03 138.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 74.23 111.158 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -83.26 102.43 11.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 75.22 110.892 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.47 114.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.35 110.86 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.84 175.33 0.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 75.45 112.502 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -57.56 -179.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 74.32 110.934 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 t -51.88 -45.94 64.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -95.48 64.61 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.897 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.49 144.96 35.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 24.33 110.924 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -127.86 -55.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 65.13 110.908 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -113.33 157.91 21.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.55 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -93.71 153.32 18.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.882 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -143.76 119.22 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.845 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.69 142.6 45.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 72.11 110.901 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -106.71 112.83 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.22 110.872 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 t -106.35 128.4 53.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 73.35 110.93 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.434 HD22 ' HD2' ' A' ' 53' ' ' PHE . 41.5 mt -110.56 108.37 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 44.23 110.934 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.88 -69.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 70.23 111.063 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.37 143.97 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 74.03 111.136 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 p -74.8 155.81 37.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 65.52 110.867 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG22 ' CE2' ' A' ' 54' ' ' TRP . 43.8 t -80.68 -51.54 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.117 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -152.14 168.64 24.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 71.33 110.89 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 44' ' ' VAL . 10.5 p -120.26 -8.81 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.114 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 mtpp -51.51 -58.31 11.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.597 0.713 . . . . 53.31 110.914 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.0 Cg_endo -69.78 160.15 50.76 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.23 . . . . 72.25 112.371 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.62 160.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 40.42 111.082 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.77 -36.48 10.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 74.2 112.384 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.13 -25.31 68.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.33 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -110.86 17.0 20.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 75.3 110.883 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 14.1 ttp180 -80.73 120.47 24.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.868 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -91.21 142.61 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.863 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.434 ' HD2' HD22 ' A' ' 38' ' ' LEU . 6.8 m-85 -118.33 154.87 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 63.44 110.899 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.695 ' CE2' HG22 ' A' ' 42' ' ' VAL . 23.1 m95 -81.48 135.97 35.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.904 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.33 167.46 40.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.752 -0.737 . . . . 44.4 112.529 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -133.07 128.46 36.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.744 0.307 . . . . 74.21 110.973 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 41.1 p90 -91.99 167.42 12.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 74.51 110.916 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ttp -134.05 116.71 15.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 42.45 110.894 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -113.26 113.4 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 64.33 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.4 pp -134.5 159.47 41.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 71.03 110.91 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -127.41 111.39 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.905 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.35 141.18 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 75.1 111.07 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -108.08 -179.48 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.915 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.07 -64.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.855 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.56 41.57 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 64.31 110.887 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.635 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 58.1 mtt180 -158.24 179.72 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.841 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.97 132.88 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.859 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.7 t -111.01 163.99 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.107 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -154.83 143.31 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 72.3 110.936 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -121.2 139.44 53.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 73.43 110.849 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.481 ' HD2' HD21 ' A' ' 100' ' ' LEU . 2.1 m-85 -114.87 103.91 11.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 64.54 110.939 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -135.99 146.79 47.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 73.53 110.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' HD13 ' A' ' 100' ' ' LEU . 28.3 m-85 -94.01 160.72 14.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 61.21 110.911 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.98 -160.16 24.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 75.51 112.525 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.738 HD13 HG21 ' A' ' 85' ' ' VAL . 2.6 tt -132.91 145.81 51.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 72.31 110.925 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -108.09 104.94 14.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.886 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.1 179.25 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 71.42 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -76.3 -29.1 57.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.918 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -81.63 -9.76 59.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 70.44 110.88 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.05 19.8 75.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.675 -0.774 . . . . 71.33 112.485 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -89.51 146.59 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 71.54 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -69.41 122.01 18.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.911 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 m -141.68 125.63 17.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.01 111.123 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.8 m -89.66 122.77 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 72.41 111.076 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.738 HG21 HD13 ' A' ' 75' ' ' LEU . 2.2 m -142.83 156.9 62.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 74.55 111.157 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.7 69.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 65.5 112.374 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.5 HG21 HG23 ' A' ' 93' ' ' VAL . 43.0 mm -96.96 145.47 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 63.23 111.107 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -57.87 -175.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.85 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.48 167.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -53.15 -27.6 21.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 73.02 111.119 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' HG3' HG23 ' A' ' 92' ' ' VAL . 9.7 pt-20 -53.56 -42.14 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.831 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.415 HG23 ' HG3' ' A' ' 91' ' ' GLU . 97.7 t -79.6 -48.77 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.32 111.126 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.5 HG23 HG21 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -51.49 -33.14 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 71.2 111.108 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.91 -37.41 87.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 99' ' ' THR . 25.2 tpt180 -66.72 -46.7 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.908 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.88 -34.87 72.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 71.3 110.882 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.68 -48.76 80.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.17 -50.94 71.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.902 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 95' ' ' ARG . 52.5 p -60.26 -30.25 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 61.32 111.157 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.578 HD13 ' CE1' ' A' ' 73' ' ' PHE . 3.7 tt -73.72 -45.1 54.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 70.45 110.907 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.457 ' HD2' HD12 ' A' ' 131' ' ' LEU . 11.4 ttt180 -69.47 -49.48 54.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.875 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.35 -29.22 65.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 63.34 110.849 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.696 ' CE1' HD23 ' A' ' 107' ' ' LEU . 33.2 t80 -63.81 -35.09 79.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 63.22 110.858 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -63.38 -32.82 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.833 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -47.53 51.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.04 110.887 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -32.5 74.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.878 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.696 HD23 ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -66.14 -38.68 88.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.899 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' HG2' HD11 ' A' ' 112' ' ' ILE . 21.7 ttt180 -55.78 -47.89 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.844 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.645 ' HA ' HD12 ' A' ' 112' ' ' ILE . 17.4 t70 -57.04 -44.75 83.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.872 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.764 HD11 ' HB3' ' A' ' 15' ' ' LYS . 9.6 tp -58.99 -52.01 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 53.12 110.907 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.97 -33.03 72.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.885 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 109' ' ' ASP . 26.0 mt -62.1 -32.82 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 63.0 111.132 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -30.92 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 41.2 110.86 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.702 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -97.02 -2.31 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.858 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 63.19 46.89 4.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.873 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.702 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.8 mm? -103.37 153.92 19.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.888 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.635 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -94.04 159.61 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.124 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.6 mt -117.55 132.69 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.882 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -156.24 157.53 31.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.632 0.729 . . . . 75.23 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.82 18.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 73.42 112.368 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 t -110.77 -177.77 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 70.11 110.83 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -80.21 -22.94 41.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.27 -9.33 58.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 60.21 110.851 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -91.06 107.59 19.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 73.15 110.895 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -94.21 -74.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 53.2 110.875 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -175.06 179.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 61.21 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 60.95 68.33 1.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 51.03 110.886 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 158.95 55.15 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.719 2.279 . . . . 74.45 112.316 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 131' ' ' LEU . 7.3 p -54.01 139.67 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 61.43 111.143 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -67.05 97.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 63.21 110.907 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 129' ' ' VAL . 4.1 mm? -73.3 -34.99 66.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 71.52 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.3 t -102.98 46.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 62.33 110.869 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 70.24 111.065 179.878 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.852 0.358 . . . . 72.41 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.0 p -76.39 159.71 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.139 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.663 HD11 HD22 ' A' ' 12' ' ' LEU . 13.5 mt -63.95 154.18 82.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.55 0.69 . . . . 63.55 110.968 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -17.11 37.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 75.45 112.336 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -20.36 56.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 70.1 110.903 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.14 2.04 31.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 52.05 112.475 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.415 ' HD2' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -95.12 140.31 22.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 75.12 110.837 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 124.94 11.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 72.44 112.382 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -69.66 -33.39 72.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.25 110.889 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -66.3 -33.71 76.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.843 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -77.91 -34.0 51.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 54.35 110.868 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.663 HD22 HD11 ' A' ' 3' ' ' LEU . 4.7 mp -73.69 -48.99 28.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.899 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.3 mm -54.94 -43.19 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.1 111.107 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -67.89 -34.33 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 72.21 110.899 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HB3' HD11 ' A' ' 110' ' ' LEU . 4.1 mtpp -71.33 -49.46 42.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.907 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE1' HD21 ' A' ' 110' ' ' LEU . 45.4 m-85 -58.62 -26.74 64.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.883 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.0 m -61.37 -21.66 64.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 72.1 111.129 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.26 -7.33 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.101 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.848 HD11 HD22 ' A' ' 110' ' ' LEU . 41.5 mt -103.54 4.02 35.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.2 110.939 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.03 -150.62 18.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.728 . . . . 73.25 112.494 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.1 19.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 73.12 112.352 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -61.63 129.6 41.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 71.2 110.929 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -76.56 139.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 54.14 111.161 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -83.75 113.08 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.881 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -52.08 -53.2 45.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 60.35 110.847 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.94 -137.83 13.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 70.43 112.484 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -167.72 -176.17 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 73.31 110.927 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t 62.06 30.4 17.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 34.51 110.921 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 39.45 41.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 70.45 110.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -52.27 157.67 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 53.21 110.861 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -111.16 26.54 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.925 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -135.18 161.09 36.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -110.87 135.59 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 75.42 110.904 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' ILE . 6.9 t80 -93.37 147.38 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -147.97 138.83 23.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 74.5 110.878 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -106.85 113.46 26.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 70.3 110.924 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.1 m -105.32 102.87 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 72.45 110.901 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -104.75 90.42 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 71.3 110.927 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.31 -71.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 63.3 111.058 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.39 145.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.24 111.103 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.6 p -79.53 133.32 36.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.866 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.751 HG12 ' CE2' ' A' ' 54' ' ' TRP . 18.6 m -58.45 -39.39 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.24 111.093 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -179.72 -177.1 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.859 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.42 22.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 74.04 111.131 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 16.8 mttm -66.88 -58.42 9.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 73.53 110.959 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.0 Cg_endo -69.77 179.25 3.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 43.33 112.341 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -65.9 159.58 68.73 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.557 0.694 . . . . 55.1 111.111 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.78 -23.68 30.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 74.44 112.331 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.86 -25.91 59.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 5.7 ptpp? -105.91 17.71 23.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.933 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.47 159.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 64.51 110.887 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CD ' HD21 ' A' ' 75' ' ' LEU . 27.2 mt-10 -136.11 156.68 48.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 65.25 110.834 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -144.17 146.7 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.833 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.751 ' CE2' HG12 ' A' ' 42' ' ' VAL . 93.6 m95 -81.13 138.6 35.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 72.45 110.889 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.525 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . -166.21 166.29 38.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 70.31 112.461 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -116.1 125.44 52.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 75.23 110.946 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -74.29 151.87 39.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 74.12 110.946 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.4 ttp -140.81 112.88 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -113.42 113.7 25.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 61.14 110.877 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.626 HD13 ' CE2' ' A' ' 67' ' ' PHE . 3.4 pp -119.22 156.6 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 44.44 110.892 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -131.24 111.58 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 55.22 110.878 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.89 126.37 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 54.42 111.093 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -178.26 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -52.96 -50.16 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.883 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.15 25.76 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.679 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 28.2 mtp180 -144.46 177.48 8.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.24 110.895 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.626 ' CE2' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -137.6 133.27 34.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 75.12 110.869 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.1 t -138.36 138.84 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 73.51 111.092 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -126.14 171.92 10.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.941 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -129.51 160.75 32.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 61.21 110.866 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -107.54 120.53 42.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.939 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -135.88 145.16 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 72.11 110.904 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.22 155.34 29.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.99 -152.38 19.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.723 -0.751 . . . . 64.34 112.48 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.616 HD12 ' H ' ' A' ' 76' ' ' PHE . 15.7 tp -140.67 143.61 35.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 65.2 110.939 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.616 ' H ' HD12 ' A' ' 75' ' ' LEU . 30.1 t80 -104.72 113.25 26.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 64.42 110.869 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -97.39 170.11 9.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.62 -16.65 62.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.916 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.17 -9.8 59.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.9 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.54 16.65 71.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 30.51 112.484 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -103.13 121.45 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 70.34 110.886 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -55.74 124.8 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 75.2 110.914 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.7 m -137.87 111.81 8.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.35 111.183 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.1 m -77.58 131.03 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 64.41 111.133 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.565 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.6 OUTLIER -148.21 157.88 42.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 75.22 111.157 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 152.3 69.24 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.699 2.266 . . . . 64.52 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.472 HG21 HG23 ' A' ' 93' ' ' VAL . 43.9 mm -96.12 115.22 34.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 71.32 111.117 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -91.13 150.34 21.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 64.13 103.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.05 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -54.26 -27.87 37.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 65.55 111.171 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -53.58 -35.43 60.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 73.22 110.922 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.48 -45.76 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 73.43 111.135 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.472 HG23 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -52.61 -33.18 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 64.1 111.124 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.32 -36.42 83.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 62.21 110.9 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -72.1 -34.77 68.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.525 HD11 ' HA2' ' A' ' 55' ' ' GLY . 3.9 mm? -68.27 -36.16 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.902 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.622 ' HA ' HD23 ' A' ' 100' ' ' LEU . 92.5 mt-10 -69.45 -38.9 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 53.43 110.91 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -71.53 -36.48 71.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 71.55 110.887 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 p -65.31 -46.37 80.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.31 111.171 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -62.24 -34.04 75.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 64.4 110.919 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -69.31 -45.13 70.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.841 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.59 -29.12 63.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.913 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -58.15 -35.22 71.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.828 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -70.11 -32.44 70.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.827 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.25 -48.98 78.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 64.33 110.83 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HG3' HD22 ' A' ' 19' ' ' LEU . 12.8 ptmt -74.05 -32.54 63.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.9 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -59.2 -35.51 73.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 54.55 110.931 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -59.58 -49.02 79.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.15 110.836 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -56.32 -45.83 80.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 53.01 110.899 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.848 HD22 HD11 ' A' ' 19' ' ' LEU . 4.8 tp -58.59 -51.61 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 71.5 110.909 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 118' ' ' LEU . 4.6 mp -62.52 -32.26 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.941 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.0 mt -68.01 -29.89 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.23 111.157 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.7 t -73.24 -24.63 60.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 61.31 110.873 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.1 ptp -104.61 -1.06 26.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 75.32 110.856 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 63.09 34.71 13.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.871 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.34 114.79 29.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 65.04 110.922 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.679 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -60.7 159.42 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 64.44 111.165 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.442 ' HB2' HD23 ' A' ' 111' ' ' LEU . 49.0 tp -124.95 135.48 52.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 74.03 110.911 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -145.5 160.16 45.8 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.614 0.721 . . . . 73.14 110.896 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 170.99 15.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 75.43 112.284 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.79 151.82 23.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.877 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.63 -24.63 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.87 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -95.89 26.39 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 60.53 110.848 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -91.06 110.81 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 71.13 110.861 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -81.45 -173.94 4.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.899 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -98.69 37.5 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.867 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -132.98 69.61 78.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 72.22 110.861 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 156.83 62.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.721 2.28 . . . . 74.32 112.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.585 HG11 ' HG2' ' A' ' 97' ' ' GLU . 85.3 t -60.26 134.51 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.43 111.162 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -83.96 98.02 9.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 61.42 110.941 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.98 -31.21 72.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 74.43 110.937 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 m -95.69 52.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 55.41 110.813 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 65.41 111.112 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.873 0.368 . . . . 74.23 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -75.77 160.67 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 72.11 111.17 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.21 153.9 79.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 70.21 110.913 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -17.35 37.46 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 73.24 112.321 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -20.46 55.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.86 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.17 0.27 31.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 72.42 112.523 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 139.74 22.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.607 0.718 . . . . 62.15 110.863 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 124.63 11.27 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.636 2.224 . . . . 64.01 112.383 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -42.5 71.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 53.44 110.881 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 p -61.47 -31.05 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 62.52 110.84 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -77.72 -43.66 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.874 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mp -68.17 -48.65 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.12 110.905 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.8 mm -54.84 -45.83 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 64.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -68.15 -34.13 75.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 72.43 110.882 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.688 ' HB3' HD11 ' A' ' 110' ' ' LEU . 22.5 mtmm -68.99 -47.64 65.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.925 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.464 ' CE1' HD21 ' A' ' 110' ' ' LEU . 30.4 m-85 -58.86 -30.55 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 74.42 110.912 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 m -61.01 -21.46 63.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 74.12 111.149 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.61 -8.92 59.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.096 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.042 HD11 HD22 ' A' ' 110' ' ' LEU . 13.9 mt -104.91 4.14 31.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.959 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.62 -148.55 14.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 52.13 112.461 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.33 24.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.252 . . . . 71.11 112.363 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -62.82 146.46 52.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.919 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 34' ' ' PHE . 5.1 mp -97.19 144.73 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 51.32 111.104 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 -77.74 93.84 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 72.34 110.873 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.9 160.59 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 62.44 110.857 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.13 175.9 36.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 72.35 112.466 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -118.98 122.16 41.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 61.43 110.852 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.4 m 55.77 27.1 10.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -101.06 -38.51 8.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 71.13 110.891 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -169.62 161.42 9.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 64.24 110.89 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.73 28.48 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.923 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -122.01 160.86 24.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 74.24 110.831 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -103.52 123.24 46.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 23' ' ' ILE . 6.7 t80 -93.28 149.36 21.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 71.13 110.904 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -150.89 139.01 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 71.11 110.878 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -107.01 113.05 26.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 75.43 110.825 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.6 m -101.74 98.6 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 43.22 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.4 mt -111.07 107.01 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.15 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.15 -63.18 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.42 111.104 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.653 HG21 HG13 ' A' ' 92' ' ' VAL . 2.7 m -134.9 154.57 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 54.44 111.105 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -90.83 144.94 25.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.893 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 52' ' ' GLU . 6.2 p -81.26 -31.08 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.185 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -177.54 149.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 74.41 110.892 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.561 HG23 ' CZ ' ' A' ' 51' ' ' ARG . 9.5 p -127.81 1.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 61.42 111.147 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 3.0 mptt -51.33 -58.21 11.44 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.575 0.703 . . . . 74.32 110.901 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.1 Cg_endo -69.8 168.74 20.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 73.24 112.344 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.53 160.04 1.09 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.699 . . . . 72.22 111.121 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.76 -23.94 30.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 74.01 112.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -63.53 -25.49 68.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.896 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -112.05 17.17 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.561 ' CZ ' HG23 ' A' ' 44' ' ' VAL . 3.7 tpp85 -68.27 145.0 54.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 72.24 110.87 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.719 ' O ' HG12 ' A' ' 42' ' ' VAL . 74.1 mt-10 -137.04 145.43 44.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.863 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -129.65 152.52 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.901 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.553 ' HD1' HG23 ' A' ' 40' ' ' VAL . 52.2 m95 -80.97 150.4 28.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.905 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.89 172.16 43.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 75.31 112.494 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -125.41 110.08 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 72.13 110.89 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -52.2 146.68 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.931 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.663 ' SD ' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -127.7 111.58 13.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 65.03 110.867 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.3 112.83 23.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 64.23 110.877 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.663 HD22 ' SD ' ' A' ' 58' ' ' MET . 2.5 pt? -135.09 158.66 43.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.931 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -138.02 110.98 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.928 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.96 113.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 71.21 111.123 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -77.4 178.11 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.913 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -49.67 -49.22 48.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 63.02 110.847 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.21 15.93 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.882 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -134.78 169.28 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 43.45 110.885 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -129.36 149.82 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 70.34 110.916 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -125.23 161.54 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.41 111.107 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -152.56 145.06 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.934 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 160.73 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.03 110.904 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -114.16 120.28 39.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 75.51 110.874 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -135.72 127.42 29.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.912 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -96.71 162.18 13.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.855 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 163.08 -148.52 15.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 73.23 112.49 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.953 HD13 HG21 ' A' ' 85' ' ' VAL . 2.0 tp -127.53 145.67 50.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 72.33 110.889 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -118.63 111.17 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.879 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.35 -175.6 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.837 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -76.84 -29.64 55.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 62.42 110.907 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -4.51 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.907 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.77 26.06 11.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 72.41 112.452 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -69.68 130.06 41.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 74.31 110.878 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -75.36 121.32 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 53.4 110.905 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.0 m -146.18 129.78 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.23 111.136 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.5 m -97.91 116.63 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 64.02 111.123 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.953 HG21 HD13 ' A' ' 75' ' ' LEU . 2.3 m -140.83 156.59 68.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.626 0.727 . . . . 70.45 111.107 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 156.36 63.59 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.743 2.295 . . . . 74.23 112.325 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.62 145.04 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 54.11 111.104 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.475 ' HB2' HG21 ' A' ' 92' ' ' VAL . 5.2 m-20 -57.77 -177.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 74.35 110.841 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -50.96 169.18 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 61.43 110.895 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 t -52.62 -27.54 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.5 111.148 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' HG3' HG23 ' A' ' 92' ' ' VAL . 9.5 pt-20 -53.49 -41.92 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.882 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.653 HG13 HG21 ' A' ' 40' ' ' VAL . 99.6 t -79.32 -48.79 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 65.13 111.129 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.22 -33.18 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.41 111.116 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.11 -36.55 83.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.872 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.684 ' O ' HG23 ' A' ' 99' ' ' THR . 17.5 tpp180 -64.62 -42.9 95.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.875 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.83 -35.19 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 73.51 110.91 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.13 -43.35 98.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -71.32 -36.26 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 70.42 110.922 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 95' ' ' ARG . 76.1 p -67.35 -46.32 73.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 73.15 111.129 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.7 pp -72.37 -35.41 68.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 51.45 110.874 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -68.17 -43.2 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.845 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -72.8 -28.38 62.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -57.53 -41.74 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.922 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -70.39 -32.55 70.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 64.25 110.926 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.92 -48.58 80.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.895 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HG3' HD22 ' A' ' 19' ' ' LEU . 11.5 ptmt -73.8 -32.11 63.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 63.31 110.905 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.744 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -61.62 -35.74 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 71.44 110.908 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -49.16 71.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.938 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.493 ' HA ' HD12 ' A' ' 112' ' ' ILE . 13.9 t0 -56.55 -46.64 80.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.836 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.042 HD22 HD11 ' A' ' 19' ' ' LEU . 7.2 tp -58.55 -51.28 70.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.909 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.881 HD22 HD12 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -61.79 -31.74 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.901 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.6 mt -67.59 -29.98 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 60.41 111.155 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -73.79 -24.94 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 72.35 110.838 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.634 ' HB2' HD23 ' A' ' 116' ' ' LEU . 9.8 ptp -104.77 -2.3 25.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 75.14 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.96 36.53 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 72.05 110.929 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.3 mm? -102.3 115.18 30.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.903 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.32 153.35 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.21 111.074 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.881 HD12 HD22 ' A' ' 111' ' ' LEU . 5.4 tt -129.91 113.69 14.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.948 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -156.22 160.17 30.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 62.22 110.911 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.56 14.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 53.42 112.364 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.3 m -82.28 127.2 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.847 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -14.47 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 74.45 110.864 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -111.39 26.06 11.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 61.33 110.897 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -137.21 142.64 42.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.898 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -179.16 114.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -131.04 -75.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 71.45 110.874 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -175.52 74.48 0.29 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.751 . . . . 64.43 110.9 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.6 38.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 74.53 112.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 29.0 m -54.58 135.42 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 64.15 111.137 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -96.49 97.72 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.858 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.57 -26.91 68.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.934 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.4 t -83.83 58.29 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.05 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 60.25 111.105 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 75.23 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -136.84 159.5 41.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 73.31 111.145 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 9' ' ' LYS . 5.7 mt -74.94 154.43 86.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 75.43 110.891 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -17.21 37.41 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.655 2.237 . . . . 74.44 112.317 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.81 -16.49 58.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 72.04 110.889 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.34 -13.32 33.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 61.03 112.473 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.37 152.75 73.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 72.23 110.804 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.633 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.75 124.48 11.13 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 63.34 112.331 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HA ' HD21 ' A' ' 3' ' ' LEU . 26.7 ttpt -69.87 -50.53 41.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.918 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.79 -42.4 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 63.34 110.84 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.11 -45.52 93.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 74.55 110.9 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.782 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.2 mm? -58.53 -49.12 78.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.913 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.452 HG23 ' HB ' ' A' ' 23' ' ' ILE . 35.2 mm -60.17 -46.13 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 70.14 111.115 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -61.68 -41.45 97.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.867 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.734 ' HB3' HD11 ' A' ' 110' ' ' LEU . 40.7 mtmt -67.73 -49.85 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 74.04 110.871 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.782 ' CE2' HD12 ' A' ' 12' ' ' LEU . 17.1 m-85 -58.9 -24.63 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 64.3 110.876 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.5 m -66.65 -21.68 66.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 61.44 111.096 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.16 -6.85 57.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 64.2 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.048 HD11 HD22 ' A' ' 110' ' ' LEU . 57.6 mt -102.64 4.11 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 54.34 110.883 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.65 -149.72 16.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 72.14 112.5 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.93 20.19 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 73.24 112.313 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -61.8 134.5 56.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.946 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -79.15 143.2 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 63.33 111.146 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -77.77 96.97 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -52.02 151.63 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.908 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.78 159.71 34.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.727 . . . . 73.31 112.46 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.14 -62.23 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 71.14 110.936 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 p -151.6 155.96 39.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 75.35 110.853 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 39.44 41.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 64.24 110.839 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -109.97 96.74 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.881 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -99.92 27.04 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.32 110.859 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.84 160.41 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 62.34 110.881 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -112.19 129.33 56.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.863 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.427 ' O ' HG23 ' A' ' 23' ' ' ILE . 4.8 t80 -93.25 148.51 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 71.04 110.913 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -150.87 117.97 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 64.35 110.894 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -106.89 112.48 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.861 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.82 89.02 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.43 110.886 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.31 90.42 2.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.899 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 40' ' ' VAL . . . -80.02 -54.17 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.113 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.67 HG21 HG13 ' A' ' 92' ' ' VAL . 1.6 m -155.73 139.47 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.03 111.104 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.7 p -68.11 128.93 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.856 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.35 -34.27 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 53.42 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -176.16 146.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.865 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -125.05 24.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.134 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -66.31 -58.23 10.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 63.14 110.865 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.6 Cg_endo -69.81 178.19 4.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 74.45 112.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -58.43 159.86 11.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 63.04 111.09 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.73 -25.48 28.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.64 2.227 . . . . 73.44 112.366 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -63.67 -20.38 65.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 72.32 110.9 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -118.14 17.27 14.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.0 ptt-85 -69.22 143.91 53.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 51.15 110.874 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.754 ' HB3' HD11 ' A' ' 75' ' ' LEU . 7.7 mt-10 -125.91 166.89 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.886 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' O ' HD12 ' A' ' 75' ' ' LEU . 38.5 m-85 -140.09 151.76 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 65.52 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.605 ' HD1' HG23 ' A' ' 40' ' ' VAL . 15.4 m95 -80.95 159.6 24.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.908 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.2 174.19 27.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.73 . . . . 71.21 112.468 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -118.94 149.66 41.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.744 0.307 . . . . 73.12 110.918 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -89.44 133.34 34.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.41 110.886 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.736 ' CE ' HD22 ' A' ' 60' ' ' LEU . 11.9 ttt -115.32 112.32 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.11 110.894 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.93 113.41 24.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 72.42 110.869 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.736 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -130.26 154.18 47.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 64.2 110.952 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -137.64 110.99 7.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.863 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.91 113.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 70.11 111.129 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -80.84 -174.58 4.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.9 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.53 -54.62 25.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 63.3 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.5 41.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.52 110.906 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.769 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 38.2 mtt85 -157.95 179.86 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.861 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 1.8 m-85 -143.57 144.51 31.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 53.34 110.853 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.7 t -141.43 140.14 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 62.41 111.1 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -129.74 172.65 11.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 73.04 110.921 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -144.78 159.82 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.89 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -116.74 121.34 41.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.917 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -135.76 132.52 36.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 74.11 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -97.07 157.39 15.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 63.32 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.95 -175.42 33.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 75.24 112.45 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 52' ' ' GLU . 17.4 tp -107.6 143.39 36.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 73.03 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.639 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.2 t80 -110.07 102.27 11.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.918 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -78.59 170.1 17.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -26.3 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.872 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.22 -9.82 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.58 15.73 71.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 52.15 112.466 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -85.62 126.36 33.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 71.43 110.879 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -52.47 121.79 7.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.927 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -145.44 106.68 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.145 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 84' ' ' VAL . 18.6 m -84.3 121.95 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 73.13 111.099 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.8 m -131.21 153.36 81.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 72.34 111.155 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 142.33 47.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 62.45 112.391 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.1 mm -93.34 115.59 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 42.25 111.087 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -96.48 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 53.51 110.893 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 63.19 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 52.25 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -54.33 -27.94 39.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 61.25 111.18 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -53.71 -35.1 60.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.856 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.67 HG13 HG21 ' A' ' 40' ' ' VAL . 75.9 t -78.67 -45.65 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 72.43 111.103 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -33.22 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 64.43 111.125 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.0 -36.83 85.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.878 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -69.53 -33.53 72.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 61.32 110.901 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.63 -34.87 72.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 64.13 110.959 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.02 77.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 71.33 110.914 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -71.6 -36.18 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 65.21 110.908 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -46.66 76.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 54.11 111.15 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.2 pp -70.49 -34.71 72.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 64.33 110.899 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -66.7 -49.23 66.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.882 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.12 -28.65 62.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.916 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.63 -39.7 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 74.11 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -69.2 -32.6 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.51 110.897 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.57 -47.55 78.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 64.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.422 ' NZ ' HD23 ' A' ' 107' ' ' LEU . 12.9 pttp -69.41 -32.86 72.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 71.14 110.875 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.74 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.46 -35.63 81.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 74.3 110.913 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -43.4 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.853 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -64.99 -44.18 90.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.048 HD22 HD11 ' A' ' 19' ' ' LEU . 9.8 tp -58.27 -51.12 71.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.12 110.95 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.67 HD11 HD13 ' A' ' 118' ' ' LEU . 72.7 mt -61.74 -32.28 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 70.43 110.909 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 36.7 mt -70.05 -29.9 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.44 111.126 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.4 t -72.04 -26.08 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 71.52 110.847 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.495 ' HB2' HD23 ' A' ' 116' ' ' LEU . 10.9 ptp -101.99 -1.1 32.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 74.1 110.838 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 64.49 34.51 10.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 71.04 110.909 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.2 mm? -102.36 132.59 48.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 62.42 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.769 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -74.91 158.3 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 52.55 111.109 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.67 HD13 HD11 ' A' ' 111' ' ' LEU . 19.5 tp -129.63 137.75 50.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 75.14 110.931 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -155.72 160.41 30.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 71.1 110.917 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.33 14.68 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.687 2.258 . . . . 64.54 112.319 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.6 m -92.91 134.79 34.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.837 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -59.37 -23.22 62.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 73.24 110.889 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -9.27 59.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.839 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -105.21 150.5 25.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.862 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -99.55 -175.75 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 71.13 110.928 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -100.28 82.44 2.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.89 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -160.53 68.58 2.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 75.52 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.89 55.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 64.11 112.366 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 25.1 m -53.86 134.37 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 74.53 111.13 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -90.18 97.52 11.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 65.13 110.868 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.49 -32.33 64.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.904 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 57.0 p -103.8 64.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.893 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 61.51 111.079 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 ttm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.83 0.348 . . . . 70.11 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.4 p -75.89 160.5 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 70.41 111.174 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.56 153.79 81.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 63.22 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -17.27 37.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 73.03 112.323 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -19.21 54.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.856 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.25 -1.2 31.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 60.32 112.478 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.72 150.04 37.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 73.14 110.87 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.9 Cg_endo -69.71 126.01 12.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 72.02 112.355 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -31.83 70.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.894 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -68.23 -46.86 69.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 43.03 110.83 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -61.97 -32.04 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 74.42 110.828 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.755 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.3 mm? -69.12 -45.97 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.7 -48.84 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 73.14 111.136 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.75 -35.77 81.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.919 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' HB3' HD11 ' A' ' 110' ' ' LEU . 3.8 mtmm -68.03 -49.64 60.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.907 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.755 ' CE2' HD12 ' A' ' 12' ' ' LEU . 12.9 m-85 -62.55 -24.99 67.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 65.02 110.809 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.7 m -60.94 -21.95 63.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 25.04 111.101 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.1 -7.62 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 65.43 111.106 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.647 HD13 HD22 ' A' ' 107' ' ' LEU . 46.0 mt -104.67 4.14 32.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.919 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.12 -151.0 19.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 51.32 112.467 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.78 20.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 62.34 112.367 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -61.89 122.9 16.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.987 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.432 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.9 mp -69.58 140.12 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 40.21 111.097 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.48 118.81 19.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.851 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -73.63 -51.71 15.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.901 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.64 -179.7 40.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 45.12 112.52 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -115.72 -31.83 5.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 72.23 110.928 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.5 m -87.12 -179.33 6.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -52.84 128.86 28.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.02 78.15 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 72.51 110.829 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.07 -54.75 6.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 61.42 110.913 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -114.82 160.19 19.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 70.53 110.84 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -97.48 153.89 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -143.36 121.07 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -118.06 141.4 48.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 60.13 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -106.88 112.46 25.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 72.33 110.882 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.3 m -106.54 102.63 12.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 34.24 110.889 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.406 HD22 ' HD2' ' A' ' 53' ' ' PHE . 16.8 mt -73.29 89.8 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 61.34 110.885 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.78 -58.72 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 75.45 111.094 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.4 t -129.58 144.38 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.124 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.1 t -88.41 122.83 32.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 45.41 110.878 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.33 -23.1 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.41 111.096 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 67.29 129.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 63.43 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.772 HG22 ' HD2' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -149.86 152.17 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 65.54 111.136 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 23.8 mtpt -56.37 -59.27 12.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 74.43 110.875 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.772 ' HD2' HG22 ' A' ' 44' ' ' VAL . 53.7 Cg_endo -69.72 -169.04 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.648 2.232 . . . . 64.3 112.363 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -55.36 157.5 6.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.721 . . . . 63.31 111.052 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.78 -32.64 18.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 42.12 112.321 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.52 -19.12 64.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.849 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -84.02 -13.28 53.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.889 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -121.4 154.96 35.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.875 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB2' HD11 ' A' ' 75' ' ' LEU . 4.2 mp0 -94.41 167.27 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 63.52 110.848 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HD2' HD22 ' A' ' 38' ' ' LEU . 11.2 m-85 -121.37 165.94 14.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.499 ' CZ3' HD13 ' A' ' 87' ' ' ILE . 18.4 m95 -82.06 136.38 35.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.23 126.9 1.03 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 71.4 112.501 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -88.65 125.8 35.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.8 0.334 . . . . 75.41 110.901 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -84.18 156.66 21.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.943 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.433 ' SD ' HD23 ' A' ' 60' ' ' LEU . 4.0 tmm? -128.02 121.07 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 71.14 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.04 116.94 30.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.867 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD23 ' SD ' ' A' ' 58' ' ' MET . 1.5 pp -130.33 159.91 35.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 61.43 110.929 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -130.96 111.97 12.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.877 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.93 135.72 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 62.43 111.063 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.44 -173.83 2.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.945 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -53.33 -57.74 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 71.52 110.921 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 26.96 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.929 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.728 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 26.0 mtm180 -147.34 169.96 18.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.606 ' HZ ' HD11 ' A' ' 12' ' ' LEU . 1.7 m-85 -126.71 163.07 24.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.865 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -140.0 164.7 29.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 73.52 111.135 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -158.51 143.54 16.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 75.44 110.925 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.81 160.47 35.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.859 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -100.7 113.57 26.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.947 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -135.48 116.8 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.42 110.918 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' HG11 ' A' ' 129' ' ' VAL . 26.1 m-85 -92.04 151.46 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.21 110.885 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -175.37 -146.65 5.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 62.52 112.496 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 85' ' ' VAL . 4.1 tt -145.41 143.6 30.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 64.15 110.916 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -105.22 115.26 29.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.904 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.59 -178.99 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.901 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -81.43 -24.21 37.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 65.2 110.924 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.42 -10.21 44.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 60.53 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.4 13.91 68.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 73.14 112.493 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.73 148.82 25.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 43.03 110.888 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -54.84 129.42 37.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -145.25 108.48 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 65.32 111.145 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 84' ' ' VAL . 17.3 m -84.97 119.91 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 53.24 111.148 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 75' ' ' LEU . 7.7 p -148.44 133.51 9.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.695 0.76 . . . . 64.24 111.12 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.71 141.69 46.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 74.23 112.38 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.499 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 28.8 mm -73.53 151.19 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 64.32 111.136 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.72 -173.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.926 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.96 169.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.947 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -52.42 -27.52 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 71.24 111.155 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -53.45 -42.48 67.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.904 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.7 t -79.97 -48.64 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 75.22 111.145 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.34 -33.04 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 71.3 111.167 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.01 -35.58 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 51.13 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -38.98 79.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.9 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.87 -34.93 72.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.34 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -56.65 -36.97 70.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 61.42 110.879 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -68.15 -51.19 48.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 65.44 110.919 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.1 p -63.45 -25.49 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 62.43 111.112 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.606 HD13 ' N ' ' A' ' 101' ' ' ARG . 0.9 OUTLIER -62.19 -54.64 38.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 63.51 110.9 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.606 ' N ' HD13 ' A' ' 100' ' ' LEU . 14.0 tpp180 -71.03 -42.09 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.855 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.99 -29.33 63.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.854 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -68.99 -40.06 79.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 73.01 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -70.33 -32.75 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.815 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -48.47 81.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 54.23 110.903 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.536 ' HG3' HD22 ' A' ' 19' ' ' LEU . 10.8 ptmt -73.74 -31.58 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.894 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.647 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -58.63 -35.67 72.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 61.2 110.853 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -62.14 -46.51 88.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.881 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.48 -46.32 80.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.84 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.639 HD22 ' CD1' ' A' ' 19' ' ' LEU . 10.5 tp -58.51 -51.39 70.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.903 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.773 HD21 HD13 ' A' ' 118' ' ' LEU . 5.6 mp -61.62 -32.06 72.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.937 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.0 mt -68.59 -30.05 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.4 111.1 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 t -73.26 -24.47 60.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.865 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.2 ptp -104.26 -2.02 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 73.24 110.886 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 63.81 34.86 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -102.92 121.44 42.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.909 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.728 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -69.38 159.54 32.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 70.31 111.139 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.773 HD13 HD21 ' A' ' 111' ' ' LEU . 19.1 tp -128.91 139.93 51.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 73.32 110.926 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -145.36 160.48 45.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 72.23 110.902 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 171.35 14.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 71.02 112.346 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.7 m -99.93 147.69 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 71.13 110.827 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -67.89 -23.01 65.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 74.54 110.911 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -95.77 26.44 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 64.55 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -91.02 121.67 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 71.52 110.882 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.49 -176.94 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.938 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.12 25.61 11.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.876 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -134.2 70.0 73.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 74.03 110.872 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 159.05 54.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.646 2.231 . . . . 62.0 112.371 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 131' ' ' LEU . 4.9 m -54.19 141.46 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 63.54 111.077 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -73.96 97.32 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.944 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 129' ' ' VAL . 4.3 mm? -73.7 -35.97 65.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 63.34 110.902 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.0 t -102.31 65.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 70.1 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.14 111.076 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.2 mmm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 64.21 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p -136.91 159.27 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 73.4 111.167 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.72 153.99 95.13 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 74.12 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -23.89 30.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 24.2 112.315 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 p -71.12 -16.62 62.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.884 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.47 -8.09 32.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 71.13 112.537 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 153.09 61.33 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.586 0.708 . . . . 64.24 110.912 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.641 ' O ' HD23 ' A' ' 12' ' ' LEU . 54.4 Cg_endo -69.69 123.78 10.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.735 2.29 . . . . 73.04 112.361 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -71.17 -54.31 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 74.11 110.849 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.4 m -54.14 -43.23 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.84 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -62.0 -47.42 84.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 64.23 110.86 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.809 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.7 mm? -58.92 -43.98 91.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.852 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -59.52 -48.49 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.34 111.13 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -34.17 76.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.962 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -68.31 -52.53 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.894 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.809 ' CE2' HD12 ' A' ' 12' ' ' LEU . 15.0 m-85 -59.09 -25.95 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.864 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.1 m -60.64 -21.93 63.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 52.32 111.124 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 -8.09 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.51 111.056 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.684 HD11 HD22 ' A' ' 110' ' ' LEU . 18.5 mt -104.88 3.86 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.883 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.46 -150.7 16.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 64.34 112.466 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.1 22.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 74.05 112.349 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.88 121.28 13.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.9 mp -67.32 140.93 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 74.5 111.139 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -77.96 93.62 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -93.26 141.43 28.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.912 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.76 -147.32 17.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 61.45 112.487 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -53.77 -33.73 56.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 72.11 110.901 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.0 m -52.49 -48.24 66.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 75.52 110.855 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -84.95 116.96 23.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.5 110.86 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -98.67 -64.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -127.8 -55.46 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.901 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -98.27 138.27 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 62.31 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -61.31 145.58 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 61.54 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -130.94 113.85 14.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 61.22 110.872 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.03 133.1 56.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 64.31 110.841 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.95 112.32 25.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 33.15 110.896 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -106.76 130.26 54.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 51.25 110.855 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.31 131.48 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.917 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 54' ' ' TRP . . . -107.06 -64.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.3 111.1 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -150.32 133.49 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 55.15 111.078 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.2 m -67.64 118.55 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 74.55 110.866 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG12 ' OD1' ' A' ' 43' ' ' ASN . 44.7 t -53.28 -36.9 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 64.42 111.115 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.484 ' OD1' HG12 ' A' ' 42' ' ' VAL . 22.1 m120 -153.99 140.35 18.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 71.45 110.932 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.4 p -116.26 -21.43 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.117 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.64 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 8.7 mtpt -66.43 -52.01 39.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 71.21 110.908 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.2 Cg_endo -69.71 163.72 37.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 74.13 112.344 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.81 160.1 1.18 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 74.21 111.098 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 -28.62 24.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 61.04 112.313 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -80.24 -1.77 42.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 72.53 110.904 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -115.77 -14.06 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.887 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -91.53 159.59 15.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.4 110.823 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.719 ' HB3' HD11 ' A' ' 75' ' ' LEU . 79.1 mt-10 -130.3 166.98 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -126.48 140.17 52.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 54.3 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . 23.5 m95 -80.96 157.9 25.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 75.22 110.92 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.29 177.54 38.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.799 -0.715 . . . . 72.22 112.477 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -130.22 115.82 17.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 74.03 110.893 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -59.01 120.81 9.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.913 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.455 ' HE3' HD22 ' A' ' 60' ' ' LEU . 3.3 ttt -93.07 112.07 23.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 70.31 110.858 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.8 113.52 25.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 64.03 110.887 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.533 HD13 ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -134.57 159.49 41.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 50.23 110.927 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -133.37 111.59 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.892 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . . . -68.83 116.25 9.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 64.21 111.112 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -88.4 -172.28 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.911 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -52.66 -52.4 55.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 55.34 110.909 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.69 25.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -139.58 145.93 39.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.1 110.838 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -120.37 138.19 53.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.906 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.6 t -121.93 164.27 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.4 111.158 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.533 ' CE1' HD13 ' A' ' 60' ' ' LEU . 87.2 m-85 -151.8 161.22 43.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.933 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -148.09 160.87 42.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.877 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -110.61 114.83 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.915 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -135.79 130.35 33.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -91.9 164.34 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 72.05 110.887 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.07 -173.79 42.94 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 40.02 112.495 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -109.15 131.41 55.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 73.3 110.91 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.639 ' N ' HD13 ' A' ' 75' ' ' LEU . 11.8 t80 -107.03 95.25 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.893 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -72.0 175.76 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 44.31 110.862 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -75.81 -29.19 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 55.35 110.914 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.89 -9.85 41.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.884 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.91 19.5 28.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 64.41 112.481 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.79 140.23 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 75.12 110.886 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 47.4 p90 -95.3 122.48 38.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.4 m -145.73 137.11 24.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.22 111.154 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.0 m -98.0 116.08 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 75.22 111.098 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.495 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.7 OUTLIER -139.88 158.2 68.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 73.44 111.133 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.52 60.05 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 70.13 112.344 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.443 HG21 HG23 ' A' ' 93' ' ' VAL . 47.6 mm -92.24 146.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 45.11 111.165 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -58.49 -174.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.02 110.878 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -50.42 167.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 t -53.57 -27.54 26.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.129 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HG3' HG23 ' A' ' 92' ' ' VAL . 19.9 pt-20 -53.56 -42.27 67.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 54.44 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.411 HG23 ' HG3' ' A' ' 91' ' ' GLU . 90.6 t -79.69 -48.71 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.54 111.15 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.443 HG23 HG21 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -51.23 -33.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 71.11 111.128 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.21 -36.31 81.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 53.34 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.581 ' O ' HG23 ' A' ' 99' ' ' THR . 16.6 tpp180 -73.01 -31.91 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.86 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.94 -34.84 73.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HA ' HD23 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -68.61 -40.95 80.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.856 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -71.65 -36.24 70.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 63.24 110.953 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 95' ' ' ARG . 29.8 p -65.65 -46.47 79.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 73.52 111.115 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.9 OUTLIER -67.03 -34.15 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.94 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -68.57 -44.17 74.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 71.43 110.899 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.62 -29.26 63.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.32 110.892 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -58.28 -40.93 83.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.895 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.526 ' NE2' HD21 ' A' ' 118' ' ' LEU . 23.8 t-80 -70.28 -32.57 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 74.14 110.808 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.76 -48.8 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 52.11 110.923 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -74.06 -32.15 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 62.33 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.14 -35.72 82.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.915 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.536 ' HG3' HD22 ' A' ' 118' ' ' LEU . 22.0 ttp180 -62.72 -44.02 97.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.929 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.515 ' HA ' HD12 ' A' ' 112' ' ' ILE . 11.7 t0 -55.72 -46.79 77.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 74.34 110.893 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 19' ' ' LEU . 32.2 tp -58.86 -50.0 75.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.918 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.527 ' CD2' HD13 ' A' ' 118' ' ' LEU . 6.9 mp -63.73 -36.23 83.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 75.2 110.875 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.3 mt -60.94 -39.13 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 73.53 111.141 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -22.03 60.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.86 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.3 mtm -95.23 -7.85 37.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.869 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 63.47 41.71 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.857 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -103.47 137.63 41.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 62.01 110.905 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.27 138.12 57.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.41 111.084 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.536 HD22 ' HG3' ' A' ' 108' ' ' ARG . 5.6 tp -129.55 133.15 47.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 71.43 110.935 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -146.59 159.95 42.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.677 0.751 . . . . 64.32 110.861 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.27 14.76 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.658 2.239 . . . . 51.15 112.327 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.1 m -73.55 138.33 44.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.799 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.48 -22.42 54.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 65.35 110.835 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.68 25.86 4.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.816 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -93.27 107.66 19.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.873 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -93.28 -175.71 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 71.02 110.849 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.79 54.04 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 62.54 110.877 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -164.02 68.25 1.56 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.677 0.751 . . . . 71.53 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 159.13 54.55 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.687 2.258 . . . . 65.03 112.378 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.702 HG23 HD21 ' A' ' 131' ' ' LEU . 7.0 m -53.77 124.27 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.02 111.121 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -66.97 97.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.13 110.902 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.702 HD21 HG23 ' A' ' 129' ' ' VAL . 5.7 mt -73.7 -30.84 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 70.42 110.934 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.4 m -105.39 45.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.847 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 64.0 111.114 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.859 0.361 . . . . 64.11 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.8 p -119.84 159.76 23.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 74.04 111.112 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.35 153.9 91.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 55.13 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -22.54 31.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 73.02 112.325 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.457 ' OG ' ' HB3' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -72.04 -18.53 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.45 110.889 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.35 1.06 31.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.745 . . . . 22.12 112.485 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.52 153.07 40.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 52.32 110.853 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.621 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.3 Cg_endo -69.8 125.04 11.67 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.277 . . . . 70.3 112.325 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -69.5 -50.56 44.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 63.02 110.872 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -54.71 -43.7 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 73.21 110.871 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -62.05 -45.72 92.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.864 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.793 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.0 mm? -58.61 -48.31 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 61.05 110.898 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.78 -43.43 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 64.52 111.141 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -67.98 -41.68 81.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.929 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.807 ' HB3' HD11 ' A' ' 110' ' ' LEU . 5.9 mttm -65.46 -47.88 74.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.25 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.793 ' CE2' HD12 ' A' ' 12' ' ' LEU . 15.6 m-85 -58.79 -26.03 63.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.0 m -62.76 -21.38 65.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 71.15 111.128 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.18 -7.3 58.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 64.32 111.088 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.874 HD11 HD22 ' A' ' 110' ' ' LEU . 60.0 mt -104.37 4.23 33.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.05 110.928 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.52 -149.39 16.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 52.42 112.505 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 168.91 20.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.256 . . . . 74.14 112.336 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -61.92 122.11 14.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.959 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.6 mp -68.06 140.77 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 61.33 111.145 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -86.38 120.59 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.859 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -51.22 -65.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 71.34 110.912 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.83 18.08 14.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.72 . . . . 25.41 112.526 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 39.42 41.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.75 0.31 . . . . 75.32 110.905 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -142.57 157.51 44.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.55 110.866 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -111.48 -37.53 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.899 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -112.72 89.31 3.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 73.02 110.901 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -163.3 -177.03 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -98.07 160.24 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.817 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -79.41 135.97 36.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -120.26 123.28 42.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 73.35 110.882 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -120.04 133.1 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -106.8 112.41 25.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 75.12 110.864 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 m -106.72 133.82 50.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.663 HD13 ' CD2' ' A' ' 53' ' ' PHE . 9.6 mt -110.57 97.98 7.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 64.1 110.935 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.3 -71.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 63.33 111.088 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.702 HG21 HG13 ' A' ' 92' ' ' VAL . 1.2 m -125.86 144.0 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 72.53 111.147 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.7 p -84.87 128.2 34.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 72.35 110.854 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.92 -33.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 74.43 111.07 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -130.1 108.58 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 75.31 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.703 HG23 ' CZ ' ' A' ' 51' ' ' ARG . 10.1 p -121.84 -7.54 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.21 111.15 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.519 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 8.2 mtmm -66.38 -58.04 11.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 72.22 110.892 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.9 Cg_endo -69.72 177.46 5.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 54.24 112.351 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.43 160.28 1.01 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 34.31 111.094 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.71 -23.36 31.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 73.41 112.364 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.79 -24.69 67.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -109.86 16.94 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 60.52 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.703 ' CZ ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -70.74 146.07 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.906 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -137.09 139.36 41.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 63.14 110.915 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.663 ' CD2' HD13 ' A' ' 38' ' ' LEU . 26.4 m-85 -121.74 146.1 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.903 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.583 ' HD1' HG23 ' A' ' 40' ' ' VAL . 78.7 m95 -81.56 128.62 34.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 61.54 110.923 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -153.68 168.78 32.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 70.2 112.457 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 11.7 p-90 -115.49 155.03 28.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.732 0.301 . . . . 74.42 110.944 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -104.95 116.28 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 74.44 110.874 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.5 ttt -108.21 112.74 25.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 62.41 110.908 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -112.75 118.5 35.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 72.12 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD12 ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -130.58 155.71 46.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 72.15 110.918 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -137.73 115.92 11.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.854 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.457 ' HB3' ' OG ' ' A' ' 5' ' ' SER . . . -51.22 141.04 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 64.13 111.092 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -170.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 75.4 110.872 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.06 -51.45 69.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.915 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -143.6 25.4 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.928 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.648 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 32.0 mtt180 -146.81 171.26 15.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.837 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.702 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -136.68 136.4 39.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 70.2 110.92 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -105.17 164.67 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 42.24 111.141 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -156.96 143.38 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.931 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -147.57 160.58 42.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 71.3 110.881 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -133.06 133.63 43.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.929 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -130.22 145.76 51.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 64.23 110.918 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -91.84 146.41 23.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.06 -144.06 7.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 43.21 112.486 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 85' ' ' VAL . 9.6 tt -145.35 145.9 31.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 73.25 110.96 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.414 ' N ' HD23 ' A' ' 75' ' ' LEU . 72.2 t80 -121.38 120.44 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.879 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -97.74 -176.44 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.866 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -77.57 -23.57 49.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 73.35 110.955 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -78.23 -9.7 59.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.42 21.35 77.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 34.44 112.509 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -91.64 121.46 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 74.42 110.881 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -63.0 122.66 16.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 64.53 110.925 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.9 m -142.36 121.4 12.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 71.12 111.143 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.01 131.4 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 61.2 111.142 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 75' ' ' LEU . 21.1 t -145.0 132.76 10.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 72.14 111.107 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.57 48.23 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 65.12 112.345 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.568 HG21 HG23 ' A' ' 93' ' ' VAL . 45.9 mm -92.41 118.64 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 74.21 111.195 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.45 152.88 18.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 64.14 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 63.86 105.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.861 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.1 t -52.93 -28.85 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.11 111.142 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.86 -38.04 64.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.914 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.702 HG13 HG21 ' A' ' 40' ' ' VAL . 92.1 t -78.66 -47.05 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.114 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.568 HG23 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -51.76 -32.89 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 42.34 111.161 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.87 -34.52 77.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 64.4 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -34.63 63.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 72.51 110.887 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.5 -41.09 73.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.936 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.724 ' HA ' HD23 ' A' ' 100' ' ' LEU . 25.5 pt-20 -69.1 -32.69 72.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.911 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -71.68 -36.4 70.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 61.14 110.873 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -46.41 80.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 75.13 111.143 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.724 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -59.07 -34.2 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.892 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.468 ' HD3' HD22 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -69.76 -49.01 57.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.912 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -65.36 -29.5 70.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 45.01 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -66.61 -34.57 78.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.908 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -46.41 67.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.4 110.875 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.88 -47.91 81.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.574 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -63.18 -32.19 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 75.35 110.894 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.476 HD12 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -70.89 -34.38 71.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 52.34 110.902 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -42.77 64.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 53.44 110.885 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.78 -35.81 81.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.83 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.874 HD22 HD11 ' A' ' 19' ' ' LEU . 6.2 tp -70.84 -51.02 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 64.43 110.882 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.483 HD12 HD11 ' A' ' 118' ' ' LEU . 59.1 mt -64.03 -41.28 97.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 62.24 110.93 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 30.9 mt -61.2 -36.12 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.12 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.6 t -67.86 -22.92 65.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 73.21 110.885 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 28.4 mtm -95.74 2.73 54.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.895 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 63.5 43.31 5.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.13 161.35 15.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.903 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.648 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -111.56 159.53 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 62.53 111.127 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.483 HD11 HD12 ' A' ' 111' ' ' LEU . 9.1 mt -120.95 142.61 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 54.42 110.938 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -137.33 160.6 64.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 51.5 110.923 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 171.28 14.66 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.757 2.304 . . . . 74.34 112.354 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -101.92 158.27 16.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 71.11 110.879 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.04 -16.66 52.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 54.54 110.865 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -95.45 25.35 4.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.858 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -111.09 107.55 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 64.1 110.911 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -89.63 -74.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.03 110.906 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.65 -172.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 56.91 68.29 2.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 71.33 110.891 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 158.99 55.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.272 . . . . 54.04 112.354 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.3 m -54.33 128.46 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.21 111.133 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -79.61 97.39 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 63.22 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.468 HD22 ' HD3' ' A' ' 101' ' ' ARG . 3.4 mp -73.74 -35.3 65.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 74.14 110.916 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.2 m -98.68 50.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.837 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 63.24 111.132 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.868 0.366 . . . . 45.32 110.919 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -96.12 161.08 14.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 53.45 111.068 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.547 HD21 ' HD3' ' A' ' 9' ' ' LYS . 21.1 mt -63.37 153.52 82.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 73.11 110.909 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.17 37.92 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 61.32 112.383 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.84 -18.59 60.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.845 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.41 4.29 30.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 63.33 112.467 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.85 138.0 22.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 70.5 110.811 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 125.87 12.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 73.31 112.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HD3' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -68.88 -41.33 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.919 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.2 t -57.86 -30.36 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 74.1 110.846 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -77.88 -49.15 14.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 61.11 110.874 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.821 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 3.8 mm? -58.38 -46.6 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 64.53 110.974 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.614 HG23 ' HB ' ' A' ' 23' ' ' ILE . 37.3 mm -61.76 -33.1 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 62.14 111.133 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -68.8 -49.4 58.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.884 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.688 ' HD2' HD13 ' A' ' 12' ' ' LEU . 3.0 ptpt -66.71 -42.08 86.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 70.12 110.925 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.821 ' CZ ' HD12 ' A' ' 12' ' ' LEU . 15.1 m-85 -62.33 -21.31 65.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.1 m -74.91 -21.51 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 64.21 111.127 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.72 -7.42 58.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 73.13 111.105 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.986 HD11 HD22 ' A' ' 110' ' ' LEU . 10.2 mt -104.3 4.18 33.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 65.11 110.911 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.8 -153.27 20.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 61.32 112.492 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 168.93 20.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 72.3 112.33 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.89 134.63 56.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.963 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.614 ' HB ' HG23 ' A' ' 13' ' ' ILE . 4.9 mp -80.21 143.87 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 74.14 111.143 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.1 ttt-85 -81.25 93.85 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 65.31 110.855 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -53.13 171.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 62.24 110.879 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.58 144.47 11.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 75.02 112.478 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -120.93 51.17 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.744 0.306 . . . . 72.02 110.926 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 83.7 m -125.84 -174.95 3.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.922 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -54.19 173.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.54 110.897 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.45 120.86 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 62.35 110.871 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -141.91 -177.27 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 55.24 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -101.74 160.4 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.5 110.836 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -68.17 156.11 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 64.05 110.879 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -128.17 145.39 51.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.845 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -147.98 134.29 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.874 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.73 113.16 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 61.32 110.851 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 t -99.05 125.31 44.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 70.23 110.893 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 mt -109.52 130.88 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 73.24 110.917 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.61 -49.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 45.43 111.119 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.658 HG21 HG13 ' A' ' 92' ' ' VAL . 3.2 m -154.01 153.18 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.108 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.5 t -90.6 142.82 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 71.13 110.899 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 52' ' ' GLU . 7.0 p -81.18 -32.78 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.51 111.139 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -171.87 138.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 34.54 110.903 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.51 21.3 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 50.22 111.112 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.519 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -66.76 -58.43 9.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 62.33 110.899 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.69 -175.96 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 64.11 112.358 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -64.32 160.05 53.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 64.51 111.057 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.8 -35.01 13.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 71.4 112.364 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.05 -25.5 65.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.32 110.873 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -110.49 17.09 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 74.55 110.87 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -78.79 148.55 32.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 42' ' ' VAL . 39.0 mt-10 -110.69 146.85 35.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.853 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' O ' HD12 ' A' ' 75' ' ' LEU . 11.3 m-85 -133.07 148.63 52.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 64.12 110.902 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.576 ' HD1' HG23 ' A' ' 40' ' ' VAL . 67.4 m95 -80.65 146.33 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.883 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . 179.02 -139.69 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 55.31 112.442 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.3 p-90 -175.69 126.43 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 73.41 110.904 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 18.1 p90 -84.99 143.94 28.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' HD22 ' A' ' 60' ' ' LEU . 2.4 tmm? -125.55 112.96 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 72.25 110.904 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -113.35 116.52 29.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.849 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD22 ' SD ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -130.68 159.45 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.912 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -135.63 111.62 9.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.857 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 3' ' ' LEU . . . -52.48 117.5 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 43.44 111.129 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.94 -169.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.937 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -51.71 -54.13 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.904 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 26.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.12 110.934 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.792 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 18.1 mtt180 -145.0 161.21 39.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.881 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -120.8 156.81 31.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -141.07 158.77 43.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 65.04 111.126 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CE1' HD11 ' A' ' 118' ' ' LEU . 1.9 p90 -158.48 169.16 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.878 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 151.91 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 72.02 110.897 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -113.02 116.43 29.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.943 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -132.08 146.53 52.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 61.24 110.919 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -94.85 148.25 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 70.43 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.76 -146.27 5.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 74.21 112.448 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 53' ' ' PHE . 35.8 tp -144.8 145.86 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 71.11 110.93 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -99.98 98.84 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 64.02 110.907 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -78.74 175.89 10.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.863 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -25.38 44.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 54.33 110.905 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -87.12 -9.65 54.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.65 18.67 74.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 63.01 112.506 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -95.84 135.0 38.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 75.42 110.892 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -52.56 126.05 18.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.946 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -137.3 106.39 6.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 64.4 111.147 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 84' ' ' VAL . 12.4 m -64.4 114.98 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 64.54 111.12 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.424 HG23 ' HD2' ' A' ' 86' ' ' PRO . 7.3 p -148.26 133.17 9.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 43.14 111.172 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 85' ' ' VAL . 54.3 Cg_endo -69.68 150.83 69.22 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 74.32 112.388 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.3 mm -96.7 122.22 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 61.33 111.14 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -96.36 155.42 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.52 110.839 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 62.93 105.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 72.4 110.91 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -52.58 -28.76 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 61.45 111.159 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.92 -34.93 61.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.899 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.658 HG13 HG21 ' A' ' 40' ' ' VAL . 84.1 t -79.89 -33.64 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 70.14 111.083 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.71 -34.58 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.52 111.115 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.14 -29.14 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 99' ' ' THR . 18.7 tpp180 -74.6 -43.07 57.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.897 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.446 HD11 ' HA2' ' A' ' 55' ' ' GLY . 4.2 mm? -68.94 -34.88 76.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.575 ' HG2' HG11 ' A' ' 129' ' ' VAL . 44.0 mt-10 -56.7 -41.45 77.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.89 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -71.85 -37.22 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.935 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 95' ' ' ARG . 23.8 p -66.31 -46.6 76.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 74.54 111.178 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 100' ' ' LEU . 1.8 pp -71.97 -35.44 69.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.931 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -67.76 -42.35 81.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.4 110.85 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -72.75 -32.49 65.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.874 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.403 ' HE1' HD23 ' A' ' 107' ' ' LEU . 4.8 t80 -61.02 -35.39 76.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.908 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.26 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 72.43 110.872 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.7 -47.76 79.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 61.24 110.847 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -32.63 69.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 60.1 110.904 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.686 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.31 -35.6 80.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 61.4 110.884 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.505 ' HD3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -65.68 -39.29 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.902 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -57.87 -46.87 84.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.892 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.986 HD22 HD11 ' A' ' 19' ' ' LEU . 52.2 tp -58.7 -51.23 70.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.34 110.903 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 118' ' ' LEU . 6.3 mp -59.8 -31.56 69.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 73.55 110.89 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.505 HD11 ' HD3' ' A' ' 108' ' ' ARG . 26.7 mt -70.89 -29.8 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 53.51 111.105 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 t -73.61 -26.4 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 62.34 110.885 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.479 ' HB2' HD23 ' A' ' 116' ' ' LEU . 12.5 ptp -98.69 -1.34 40.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 71.04 110.923 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 64.0 35.13 10.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.479 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.2 mm? -102.08 113.89 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 65.54 110.923 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.792 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -59.44 148.81 31.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 62.22 111.124 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.679 ' HB2' HD23 ' A' ' 111' ' ' LEU . 2.6 tt -129.72 141.69 50.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -147.48 160.3 39.33 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.668 0.747 . . . . 43.04 110.885 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.37 14.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.239 . . . . 43.33 112.359 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 m -75.34 147.61 39.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 21.34 110.871 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -69.25 -18.82 63.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 62.22 110.847 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.67 26.57 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.851 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.94 138.74 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.874 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -98.03 -179.19 4.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 65.2 110.894 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -94.58 65.7 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 61.41 110.864 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -150.74 67.94 8.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 75.31 110.916 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 158.78 55.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 74.43 112.345 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.66 ' O ' HD12 ' A' ' 131' ' ' LEU . 38.0 t -62.13 117.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 71.03 111.122 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -69.45 97.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.4 110.932 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 129' ' ' VAL . 4.8 mp -73.76 -28.2 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 52.32 110.928 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 t -85.68 61.97 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.852 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.25 111.12 179.875 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.859 0.362 . . . . 73.02 110.845 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.6 p -100.91 159.44 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 65.13 111.128 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.93 153.55 88.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.608 0.718 . . . . 51.02 110.934 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.27 31.0 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.717 2.278 . . . . 73.33 112.312 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -17.64 62.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.865 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.39 -4.8 31.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 41.24 112.504 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 150.57 44.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.571 0.7 . . . . 75.24 110.873 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.655 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.5 Cg_endo -69.78 124.19 10.83 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.639 2.226 . . . . 64.1 112.338 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -70.63 -46.52 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.863 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -53.91 -46.97 71.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 44.52 110.849 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -62.28 -48.57 79.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 63.41 110.851 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.77 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.6 mm? -59.12 -49.02 79.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.31 110.94 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.7 mm -57.37 -45.53 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 71.12 111.123 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -37.54 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.896 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.715 ' HB3' HD11 ' A' ' 110' ' ' LEU . 5.6 mtpp -67.08 -51.45 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 50.12 110.952 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.77 ' CE2' HD12 ' A' ' 12' ' ' LEU . 25.7 m-85 -58.54 -26.65 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.894 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.0 m -63.14 -21.35 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.3 111.145 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -7.9 58.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 54.41 111.121 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.005 HD11 HD22 ' A' ' 110' ' ' LEU . 21.4 mt -105.01 4.27 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 61.21 110.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.97 -151.71 19.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 53.23 112.516 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.98 20.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 73.42 112.378 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -61.76 127.02 29.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.923 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.6 mp -74.89 141.91 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.34 111.094 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -87.57 115.91 25.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.52 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.35 -58.23 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.899 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.32 -133.0 11.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 51.35 112.456 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -139.16 -176.38 4.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 74.34 110.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 m -66.51 -170.96 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.86 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 59.6 95.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 33.03 110.891 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 56.06 83.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 61.53 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -66.38 98.73 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.54 110.885 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -98.61 152.11 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.864 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -96.75 139.59 32.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.899 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 23' ' ' ILE . 9.8 t80 -116.87 141.15 48.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.9 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -134.29 136.37 43.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.87 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -106.77 112.74 25.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 62.21 110.859 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.8 t -94.26 120.39 34.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.925 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.1 mt -109.77 123.26 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 73.13 110.93 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 40' ' ' VAL . . . -131.01 -47.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 63.03 111.09 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG21 HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -156.9 157.0 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 62.24 111.118 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.93 133.54 33.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 61.52 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.761 HG22 ' CE2' ' A' ' 54' ' ' TRP . 20.9 t -66.53 -48.65 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.31 111.121 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -167.45 131.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 65.14 110.904 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -96.08 26.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 64.51 111.13 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.526 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.7 mtpm? -66.86 -58.38 9.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.556 0.693 . . . . 64.15 110.908 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.0 Cg_endo -69.76 179.32 3.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 51.32 112.358 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.549 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -52.35 160.01 1.42 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 70.35 111.101 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.549 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 -31.09 21.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 55.52 112.322 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -71.16 -25.62 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.91 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -98.86 17.07 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 74.24 110.915 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -56.65 142.4 39.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 64.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -118.27 132.72 56.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.868 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.46 160.09 21.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.31 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.761 ' CE2' HG22 ' A' ' 42' ' ' VAL . 45.1 m95 -93.52 149.89 20.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.935 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.43 -145.93 7.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.729 . . . . 63.14 112.52 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -166.41 119.76 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.321 . . . . 74.34 110.916 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -74.8 151.03 39.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.907 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.49 ' CE ' HD22 ' A' ' 60' ' ' LEU . 21.7 ttp -145.72 117.21 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.848 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -110.38 114.04 27.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 51.43 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.49 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -118.42 159.41 23.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.912 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -136.69 117.93 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.875 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.61 148.27 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.31 111.1 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.26 -176.88 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.933 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -52.04 -51.69 55.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.905 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.9 30.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.925 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.753 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 55.3 mtt180 -155.24 176.95 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 71.22 110.888 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.96 150.7 51.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -141.04 157.17 45.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 73.11 111.149 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -153.71 167.13 30.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 74.31 110.969 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -132.24 160.53 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.86 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -106.08 106.47 17.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -134.51 125.87 28.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 72.23 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -91.85 165.01 13.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 70.45 110.928 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.6 -143.61 6.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 73.13 112.5 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.816 HD13 HG11 ' A' ' 85' ' ' VAL . 3.1 tt -145.44 145.56 31.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 74.35 110.917 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -105.9 105.62 15.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 44.5 110.889 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.54 178.26 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 71.21 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -30.03 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.883 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -105.36 -9.74 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.43 110.92 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.88 18.66 79.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 70.44 112.485 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.38 141.0 47.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 63.4 110.913 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -52.2 122.53 8.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.877 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.3 m -145.14 106.34 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.04 111.172 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 84' ' ' VAL . 13.0 m -66.7 114.28 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 74.43 111.105 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.816 HG11 HD13 ' A' ' 75' ' ' LEU . 7.4 p -148.38 133.73 9.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 52.21 111.144 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.8 149.38 66.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 72.54 112.335 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.514 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 36.3 mm -84.01 148.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.114 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -173.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.3 110.891 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -50.2 167.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.892 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -52.88 -27.77 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.167 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -53.67 -42.11 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 54.5 110.865 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.645 HG13 HG21 ' A' ' 40' ' ' VAL . 91.4 t -79.53 -48.75 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 51.31 111.101 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.28 -33.22 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.22 111.152 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -63.02 -35.99 82.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 99' ' ' THR . 21.2 tpp180 -68.45 -40.11 81.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 70.3 110.867 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.72 -34.91 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.94 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.795 ' HA ' HD23 ' A' ' 100' ' ' LEU . 4.8 tm-20 -59.38 -37.98 79.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.885 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -70.97 -33.81 70.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.935 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 95' ' ' ARG . 30.1 p -74.4 -30.78 62.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 63.44 111.169 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.795 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.4 OUTLIER -73.17 -37.79 66.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 63.13 110.913 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 15.8 ptm180 -72.39 -38.0 68.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.05 110.845 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.55 -38.17 68.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.896 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.96 -35.83 77.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.841 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -40.97 73.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.862 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.38 -47.06 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 55.32 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -33.08 70.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.23 110.873 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -34.83 70.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 55.1 110.932 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -38.84 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 51.11 110.872 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.1 -36.32 82.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.861 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.005 HD22 HD11 ' A' ' 19' ' ' LEU . 5.7 tp -66.6 -51.12 59.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.878 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' A' ' 118' ' ' LEU . 6.7 mp -62.92 -35.17 79.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 54.1 110.886 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.64 -30.38 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.4 111.16 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.5 t -73.69 -23.87 59.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 55.42 110.859 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 32.6 mtm -99.35 1.75 44.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 62.35 110.887 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 63.56 33.44 13.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 52.54 110.882 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.35 136.04 44.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 52.35 110.932 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.753 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -82.7 153.57 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 54.33 111.122 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' A' ' 111' ' ' LEU . 7.9 tt -129.82 141.66 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 70.44 110.898 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -134.17 160.31 69.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.663 0.744 . . . . 75.15 110.877 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.72 15.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 74.25 112.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.82 -179.26 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 54.32 110.842 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -75.07 -33.63 61.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 71.13 110.861 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.25 26.49 4.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 64.04 110.845 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -92.94 152.43 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 65.41 110.895 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 63.23 41.34 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 64.41 110.877 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -126.95 -39.2 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.861 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -170.62 68.35 0.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 65.42 110.919 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.14 68.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.242 . . . . 74.35 112.366 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.406 HG21 ' HG2' ' A' ' 97' ' ' GLU . 35.8 m -69.06 170.37 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 72.03 111.128 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -75.2 98.37 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.892 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.611 HD13 ' OE2' ' A' ' 97' ' ' GLU . 4.0 mm? -69.19 -25.75 64.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.945 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.6 t -96.2 28.23 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.886 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.33 111.143 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.875 0.369 . . . . 73.31 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.8 p -77.68 159.74 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 63.33 111.119 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.729 HD11 HD22 ' A' ' 12' ' ' LEU . 10.6 mt -66.91 153.72 93.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 73.13 110.908 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -18.59 37.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 2.287 . . . . 43.32 112.35 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -76.36 -14.31 60.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.893 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.55 -21.11 26.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 75.32 112.549 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 147.97 87.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 71.12 110.877 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 123.61 10.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 73.52 112.382 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -71.57 -55.5 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 63.3 110.865 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -54.35 -43.54 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 74.43 110.853 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -61.27 -36.82 81.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 72.52 110.859 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.729 HD22 HD11 ' A' ' 3' ' ' LEU . 2.0 mp -68.42 -41.0 81.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 45.43 110.861 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mm -55.95 -48.97 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.096 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -34.34 77.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.913 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.814 ' HB3' HD11 ' A' ' 110' ' ' LEU . 17.1 mttp -65.95 -50.2 65.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 62.34 110.9 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -64.64 -22.9 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 44.52 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.4 m -65.56 -22.34 66.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 75.23 111.131 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.95 -8.69 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 74.34 111.114 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.91 HD11 HD22 ' A' ' 110' ' ' LEU . 19.3 mt -105.16 4.03 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.943 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.94 -154.16 22.18 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 34.44 112.469 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.7 20.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 73.42 112.364 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -62.11 130.15 44.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.921 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -77.7 141.76 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 70.5 111.152 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.0 97.54 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 53.01 110.845 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -54.12 -73.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 63.21 110.905 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.01 178.63 27.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 55.14 112.509 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -112.08 -25.92 9.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.777 0.322 . . . . 63.5 110.88 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.3 p -54.45 161.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.926 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.11 47.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 63.13 110.927 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -95.2 151.45 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 74.35 110.868 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -104.1 49.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.842 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -129.76 160.17 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 63.32 110.914 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -120.1 115.16 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.828 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -95.84 144.39 26.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 52.51 110.895 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -139.48 116.48 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.898 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -106.91 111.54 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 74.11 110.899 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -107.39 160.46 15.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.915 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.7 mt -110.89 98.26 7.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.918 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.49 -70.93 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 64.54 111.087 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -144.74 151.43 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 61.12 111.093 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 t -84.68 116.09 23.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.872 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 52' ' ' GLU . 6.3 p -81.82 -25.17 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 72.41 111.108 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -87.93 118.68 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.92 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -150.89 -41.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 62.01 111.129 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 35.0 mttt -66.61 -57.46 12.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 54.02 110.915 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.2 Cg_endo -69.78 178.26 4.76 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.711 2.274 . . . . 71.44 112.291 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.545 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -55.36 159.8 4.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.542 0.687 . . . . 73.51 111.117 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.81 -22.16 32.24 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.645 2.23 . . . . 54.4 112.298 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.68 -17.53 55.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.883 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -99.73 18.16 18.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.72 121.74 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 64.43 110.876 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.471 ' O ' HG12 ' A' ' 42' ' ' VAL . 72.2 mt-10 -136.96 126.78 25.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.857 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -112.99 149.11 33.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.918 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.729 ' CD1' HG11 ' A' ' 92' ' ' VAL . 52.6 m95 -80.71 141.91 34.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.925 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.24 -173.24 14.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 45.13 112.503 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -88.44 -174.97 4.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.696 0.284 . . . . 73.45 110.968 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -170.38 50.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 74.02 110.893 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.5 ttp -92.36 115.38 28.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.886 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.14 113.62 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.35 110.896 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD13 ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -120.73 159.38 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 63.42 110.858 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -132.94 111.02 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.919 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.24 117.11 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 71.11 111.114 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.33 -169.4 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 75.14 110.863 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.29 -63.24 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 72.15 110.863 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.91 40.71 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 63.01 110.92 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.56 174.52 12.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 45.23 110.876 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.61 ' HZ ' HD21 ' A' ' 12' ' ' LEU . 1.2 m-85 -144.5 126.85 15.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.52 110.92 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -108.69 164.1 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 63.42 111.183 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.652 ' CE1' HD13 ' A' ' 60' ' ' LEU . 83.0 m-85 -151.95 156.21 39.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 75.04 110.893 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -141.81 141.68 33.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 70.5 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -84.84 103.92 14.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 53.34 110.913 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -136.0 146.71 47.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 72.25 110.929 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -109.05 155.59 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 70.21 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.11 -166.06 16.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 73.42 112.52 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.494 HD13 HG11 ' A' ' 85' ' ' VAL . 2.9 tt -138.12 145.93 42.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 73.14 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -99.89 109.83 22.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.32 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.27 -179.17 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.855 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.33 -26.09 68.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.08 -9.73 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 63.34 110.866 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.68 20.19 75.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 73.41 112.473 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -81.56 148.24 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 74.44 110.88 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -63.06 123.23 18.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.43 110.932 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -140.88 107.64 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 70.34 111.19 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 84' ' ' VAL . 11.0 m -60.64 114.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.161 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.494 HG11 HD13 ' A' ' 75' ' ' LEU . 7.3 p -148.12 133.32 9.21 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.651 0.739 . . . . 73.23 111.096 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.5 Cg_endo -69.81 146.46 59.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.652 2.234 . . . . 72.34 112.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.535 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 41.9 mm -81.83 116.82 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.12 111.162 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -89.19 151.56 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 61.31 110.891 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 63.16 105.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.4 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 t -54.9 -28.18 48.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.164 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.92 -36.31 62.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.729 HG11 ' CD1' ' A' ' 54' ' ' TRP . 58.7 t -78.79 -46.73 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.131 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -33.0 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 64.51 111.116 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.85 -36.85 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 54.02 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.697 ' O ' HG23 ' A' ' 99' ' ' THR . 30.8 tpt180 -69.47 -46.72 66.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.873 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.48 -34.7 77.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 51.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.636 ' HA ' HD23 ' A' ' 100' ' ' LEU . 11.0 mt-10 -61.05 -44.22 97.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.886 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -71.93 -39.87 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 75.04 110.946 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 95' ' ' ARG . 71.4 p -60.94 -46.52 90.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 71.04 111.117 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.636 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -61.37 -34.1 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 61.01 110.892 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -49.13 55.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.862 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.93 -29.47 70.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 62.52 110.883 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -64.47 -35.21 80.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.862 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -38.03 76.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.01 110.865 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.41 -48.03 77.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.869 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.56 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -72.2 -32.69 67.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 61.04 110.872 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.64 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -59.83 -35.61 75.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 60.05 110.921 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.521 ' HG2' HD11 ' A' ' 112' ' ' ILE . 31.7 ttt180 -59.27 -48.89 79.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 71.45 110.874 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.725 ' HA ' HD12 ' A' ' 112' ' ' ILE . 22.1 t0 -55.8 -44.43 77.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 64.21 110.874 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 19' ' ' LEU . 7.0 tp -58.63 -50.6 73.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.921 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.413 HD22 HD11 ' A' ' 118' ' ' LEU . 3.1 mp -63.22 -33.53 75.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.909 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 109' ' ' ASP . 27.8 mt -60.77 -35.74 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.131 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.7 t -73.64 -23.88 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.886 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.464 ' CB ' HD23 ' A' ' 116' ' ' LEU . 13.1 mtm -93.05 -2.45 55.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 74.3 110.868 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 64.25 48.55 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 114' ' ' MET . 4.5 mm? -111.71 161.39 16.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 72.05 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.492 ' C ' HD22 ' A' ' 118' ' ' LEU . . . -97.91 159.4 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.093 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.492 HD22 ' C ' ' A' ' 117' ' ' ALA . 4.5 mm? -121.53 135.76 55.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 60.42 110.929 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -155.81 160.12 31.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 62.32 110.934 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.4 14.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 74.3 112.369 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.52 139.25 53.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 75.12 110.847 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.59 -21.31 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 70.44 110.849 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -110.47 26.45 10.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 61.31 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -122.92 125.01 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.3 110.843 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -96.14 -68.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 73.51 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.97 103.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.851 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -174.25 68.41 0.31 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 65.31 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.38 45.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.268 . . . . 71.2 112.351 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.6 HG23 HD21 ' A' ' 131' ' ' LEU . 12.6 m -64.25 137.94 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.54 111.166 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -78.23 97.42 5.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 61.12 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.6 HD21 HG23 ' A' ' 129' ' ' VAL . 5.7 mt -73.45 -30.63 63.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.43 110.922 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 m -104.41 65.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.23 110.89 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.131 179.869 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.819 0.342 . . . . 64.54 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.0 p -91.25 159.82 15.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 65.3 111.129 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 12' ' ' LEU . 7.9 mt -70.14 153.86 94.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.708 . . . . 60.45 110.892 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -17.43 37.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 75.12 112.328 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -19.87 60.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 43.43 110.832 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.57 -1.26 30.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 60.22 112.482 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.21 149.48 36.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 61.23 110.849 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.98 10.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.664 2.242 . . . . 62.02 112.396 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HG3' HD21 ' A' ' 3' ' ' LEU . 19.4 ttpt -71.01 -56.83 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 61.4 110.94 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -54.2 -45.46 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 61.43 110.843 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -61.57 -34.56 75.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.853 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 3' ' ' LEU . 1.5 mp -73.23 -44.59 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 65.55 110.935 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.43 ' O ' HD13 ' A' ' 23' ' ' ILE . 35.4 mm -55.29 -44.57 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 73.33 111.144 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.927 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.709 ' HB3' HD11 ' A' ' 110' ' ' LEU . 9.0 mtpp -67.52 -51.06 55.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.89 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' A' ' 110' ' ' LEU . 31.9 m-85 -59.08 -24.54 63.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.896 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.3 m -63.91 -22.47 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 41.25 111.123 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.91 -7.85 59.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 60.21 111.101 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.892 HD11 HD22 ' A' ' 110' ' ' LEU . 28.4 mt -104.52 4.02 32.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.03 110.912 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.39 -152.95 21.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.502 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.25 19.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 75.51 112.336 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -61.54 133.48 55.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.918 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -79.6 143.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 75.34 111.104 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -83.81 93.83 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.877 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -52.0 125.25 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 65.51 110.872 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.44 149.35 10.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 60.44 112.49 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -100.49 -43.35 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 75.32 110.919 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 88.3 m -105.71 -62.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.22 110.866 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -86.84 108.66 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.22 110.892 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -94.63 38.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.88 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -132.35 26.01 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 62.21 110.9 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -139.94 160.72 39.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.874 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -131.28 112.75 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.842 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' O ' HG23 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -93.52 149.06 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 62.41 110.907 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -149.04 138.34 21.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 71.42 110.872 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.88 112.33 25.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 71.41 110.876 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.477 ' C ' HD23 ' A' ' 38' ' ' LEU . 34.0 m -106.69 115.16 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 32.14 110.856 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 37' ' ' CYS . 5.5 mt -111.03 90.05 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.96 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.446 ' HB1' ' HG3' ' A' ' 95' ' ' ARG . . . -81.67 -46.24 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 71.41 111.101 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.856 HG21 HG13 ' A' ' 92' ' ' VAL . 96.9 t -135.64 131.24 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 63.21 111.143 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -90.61 129.67 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 51.23 110.898 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.536 HG12 ' NE1' ' A' ' 54' ' ' TRP . 4.7 m -81.23 -4.59 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.4 111.114 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 71.79 164.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 62.14 110.943 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.0 m -93.63 38.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.1 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -67.25 -58.45 8.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 71.31 110.909 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.3 Cg_endo -69.77 -167.38 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.284 . . . . 73.51 112.306 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -50.14 160.3 0.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 43.41 111.083 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.72 -48.42 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.704 2.269 . . . . 71.21 112.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.19 -9.1 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 65.43 110.852 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 6.4 mtpm? -96.53 17.17 16.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.42 110.873 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -82.6 117.61 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.847 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.484 ' HB3' HD21 ' A' ' 75' ' ' LEU . 1.7 mt-10 -137.93 167.62 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 65.54 110.91 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -127.98 146.47 50.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.536 ' NE1' HG12 ' A' ' 42' ' ' VAL . 72.5 m95 -80.96 129.65 34.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 72.52 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.66 -138.68 2.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.757 . . . . 70.22 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.0 p-90 -170.6 109.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.689 0.28 . . . . 74.2 110.96 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -60.01 137.49 58.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 74.51 110.93 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.628 ' SD ' HD22 ' A' ' 60' ' ' LEU . 4.4 tmm? -113.78 111.73 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 53.32 110.847 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -114.14 112.49 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 75.43 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.628 HD22 ' SD ' ' A' ' 58' ' ' MET . 2.7 pt? -135.19 159.73 40.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 70.21 110.948 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -125.83 110.67 13.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.13 110.883 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.65 114.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 74.15 111.075 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -77.31 169.41 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -49.61 -47.14 49.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.32 110.886 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.82 41.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 70.42 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.506 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 26.3 mtt180 -164.35 -179.45 6.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 74.11 110.85 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.476 ' HD1' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -138.06 166.4 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.886 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 72.1 p -137.13 154.08 50.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 70.03 111.169 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -152.59 161.07 43.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.923 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.98 160.48 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.867 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -122.31 114.33 20.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.96 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -135.86 140.84 44.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 73.2 110.901 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -92.08 144.22 25.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 64.4 110.874 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.76 -154.07 13.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 35.55 112.478 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.732 HD13 HG21 ' A' ' 85' ' ' VAL . 4.9 tt -135.31 145.53 47.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 64.24 110.954 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -106.1 103.56 13.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 75.1 110.905 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -89.31 -177.45 5.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.87 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -81.08 -25.71 36.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 53.54 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -78.41 -9.65 59.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 65.11 110.89 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.95 18.84 74.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 61.04 112.514 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -97.45 155.52 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 74.31 110.895 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 46.0 p90 -84.63 128.02 34.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.03 110.894 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.3 m -144.93 113.15 6.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 74.5 111.171 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.5 m -69.83 117.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 62.25 111.119 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.732 HG21 HD13 ' A' ' 75' ' ' LEU . 1.8 m -137.1 156.9 75.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.609 0.718 . . . . 71.32 111.149 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.69 43.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 71.11 112.357 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.479 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 40.8 mm -92.66 147.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.23 111.163 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.488 ' CB ' HG21 ' A' ' 92' ' ' VAL . 1.4 m-20 -57.99 -174.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 63.34 110.851 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -47.29 161.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -50.85 -31.28 16.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.31 111.12 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -33.99 52.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.856 HG13 HG21 ' A' ' 40' ' ' VAL . 88.5 t -79.77 -45.24 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 61.31 111.119 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -33.18 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 63.1 111.136 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -62.2 -37.43 85.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 64.2 110.876 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 99' ' ' THR . 20.3 tpp180 -68.51 -35.43 77.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.901 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.55 -35.64 73.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.938 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.464 ' HA ' HD23 ' A' ' 100' ' ' LEU . 16.5 mm-40 -69.43 -40.06 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.8 -36.45 70.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 74.3 110.931 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 95' ' ' ARG . 17.6 p -64.97 -46.46 81.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 75.21 111.142 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.9 OUTLIER -66.81 -33.98 76.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.921 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.53 -44.08 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.913 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.21 -29.49 64.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.898 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -64.99 -36.24 83.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.44 110.933 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -69.96 -32.8 71.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 75.2 110.853 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.13 -48.11 46.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 63.35 110.848 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -62.55 -32.28 73.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.887 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.656 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -69.65 -37.06 76.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 61.53 110.928 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -54.67 -46.07 73.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.547 ' HA ' HD12 ' A' ' 112' ' ' ILE . 35.7 t0 -56.22 -46.42 79.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.85 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.892 HD22 HD11 ' A' ' 19' ' ' LEU . 9.2 tp -58.64 -51.34 70.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.53 110.857 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.569 ' CD2' HD23 ' A' ' 118' ' ' LEU . 2.0 mp -61.84 -30.98 71.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 44.14 110.943 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.1 mt -68.02 -30.08 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 73.13 111.123 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.3 t -74.27 -23.38 59.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 61.13 110.845 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.523 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -108.71 1.89 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 64.31 110.871 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 58.53 43.05 19.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 70.22 110.892 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 114' ' ' MET . 2.4 mm? -102.42 125.49 49.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.906 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.506 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -89.04 134.64 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.1 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 111' ' ' LEU . 4.3 pp -116.92 140.62 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.942 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -147.24 159.88 41.08 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 61.33 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.01 15.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 72.21 112.366 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.37 130.27 40.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.904 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -58.86 -22.04 58.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 71.41 110.869 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -95.77 26.2 4.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -130.34 128.51 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.876 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -81.28 -179.6 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 65.3 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -92.59 132.74 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -153.99 73.07 6.43 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 63.41 110.874 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.82 68.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 74.14 112.311 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 131' ' ' LEU . 8.5 m -113.43 146.88 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.117 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -83.19 97.49 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 62.31 110.885 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 129' ' ' VAL . 4.1 mm? -73.6 -36.24 65.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.929 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 t -97.27 61.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 73.14 110.879 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' ' 130' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.12 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ptp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 70.11 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.8 p -76.88 159.54 29.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 52.01 111.167 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.65 153.74 92.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 54.13 110.959 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -17.38 37.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 42.34 112.323 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.57 -18.85 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.24 110.86 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.57 1.15 30.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 55.45 112.497 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.6 151.77 39.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 65.34 110.837 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.601 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.78 124.9 11.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.677 2.251 . . . . 45.3 112.333 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -69.73 -47.28 63.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.02 110.91 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.6 p -57.57 -43.3 84.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -39.84 93.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 73.44 110.868 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.763 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.8 mm? -64.24 -49.08 73.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 43.51 110.904 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 ' HB ' ' A' ' 23' ' ' ILE . 49.6 mm -61.52 -44.01 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 53.21 111.14 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -67.84 -39.74 83.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 73.33 110.89 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HB3' HD11 ' A' ' 110' ' ' LEU . 11.6 mtpp -65.5 -50.14 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.34 110.875 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' A' ' 12' ' ' LEU . 17.5 m-85 -59.01 -30.54 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.9 m -58.79 -21.57 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 54.22 111.17 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.71 -7.0 58.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.11 111.063 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.696 ' CD1' HD22 ' A' ' 110' ' ' LEU . 41.5 mt -104.0 -5.27 22.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 61.33 110.925 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.46 -151.11 11.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 72.33 112.468 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.02 19.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 64.11 112.318 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -61.87 132.28 52.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 63.14 110.941 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.9 mp -78.08 143.28 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.139 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -81.86 94.84 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.901 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.26 162.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.864 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.21 -174.11 22.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 42.03 112.48 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -119.69 44.99 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 75.4 110.973 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.6 m 58.28 41.36 23.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 51.13 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -111.91 -37.55 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.882 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -135.35 156.31 49.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.846 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -102.04 26.15 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 61.45 110.89 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -110.3 160.88 16.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.31 110.86 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -108.52 137.79 45.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.863 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 23' ' ' ILE . 5.6 m-85 -97.88 148.95 22.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 61.54 110.876 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -149.59 146.78 27.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.911 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.54 112.73 24.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 53.32 110.901 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.51 101.07 10.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 65.34 110.906 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.5 mt -111.02 120.06 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.53 110.922 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 95' ' ' ARG . . . -121.04 -50.56 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 63.11 111.123 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -147.06 143.33 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.24 111.143 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -75.74 135.14 40.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.579 HG21 HD21 ' A' ' 75' ' ' LEU . 86.2 t -64.07 -51.3 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 72.15 111.063 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -173.36 162.25 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.914 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 44' ' ' VAL . 9.2 p -127.77 0.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 63.43 111.116 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.2 mtpp -51.16 -58.11 11.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.539 0.685 . . . . 74.53 110.892 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.2 Cg_endo -69.85 177.92 5.15 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.666 2.244 . . . . 70.51 112.311 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.67 159.94 1.17 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 54.24 111.127 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.76 -23.8 30.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 62.51 112.284 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.03 -25.76 40.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.889 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -96.81 17.12 17.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.888 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -75.01 153.25 38.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.642 ' HB3' HD11 ' A' ' 75' ' ' LEU . 54.2 mt-10 -137.08 156.8 47.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.87 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.28 166.85 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 72.03 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.479 ' CE2' HG22 ' A' ' 42' ' ' VAL . 73.2 m95 -103.73 159.84 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.97 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.43 -174.39 40.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 64.54 112.47 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -135.25 125.42 26.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.754 0.312 . . . . 70.2 110.902 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -68.95 135.94 51.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.925 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.472 ' SD ' HD22 ' A' ' 60' ' ' LEU . 4.4 tmm? -115.92 112.66 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.25 110.869 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -113.66 123.73 50.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 64.13 110.871 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD22 ' SD ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -127.78 146.64 50.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 72.4 110.902 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -125.45 111.46 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.917 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.8 112.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 61.34 111.06 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.16 174.43 10.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 71.01 110.944 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -48.97 -48.49 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.861 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.71 21.02 1.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 62.45 110.899 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.506 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 58.9 mtm180 -142.35 -179.56 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 74.44 110.904 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.75 144.62 43.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.949 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -141.27 139.94 33.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 73.45 111.139 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -127.19 171.75 11.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.951 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -144.04 160.61 40.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 54.03 110.874 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -128.5 123.92 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 63.11 110.948 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -135.64 138.06 42.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.945 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -91.74 151.5 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.923 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.9 -158.87 31.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 71.15 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -108.66 129.78 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 51.24 110.911 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.599 ' N ' HD13 ' A' ' 75' ' ' LEU . 71.6 t80 -105.95 95.27 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 63.23 110.918 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 172.88 9.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.825 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -81.4 -20.59 40.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.902 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.12 -9.69 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 62.14 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.69 18.54 79.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 64.24 112.501 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -77.18 157.2 31.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 75.42 110.892 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -100.26 121.61 41.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.0 m -145.77 116.13 7.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.03 111.179 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 84' ' ' VAL . 17.2 m -91.64 120.82 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 71.45 111.139 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.427 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 1.9 m -143.17 133.1 11.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.669 0.747 . . . . 72.45 111.073 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 137.37 35.4 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.676 2.251 . . . . 65.22 112.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 mt -97.63 112.41 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.53 111.109 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -99.07 89.99 4.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.24 102.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 54.32 110.86 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 t -52.55 -28.16 19.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.149 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.73 -42.44 86.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -79.45 -32.04 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 74.24 111.134 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -33.46 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 64.42 111.116 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.3 -33.79 71.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 71.23 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.514 ' CG ' ' HB1' ' A' ' 39' ' ' ALA . 25.2 tpp180 -71.36 -43.63 66.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.834 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.86 -41.59 95.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.953 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' HA ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -68.89 -40.46 79.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.14 110.864 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -71.6 -36.35 70.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 75.15 110.918 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 95' ' ' ARG . 12.2 p -66.12 -46.91 75.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 62.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -67.42 -34.35 77.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.881 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -44.41 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.888 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.94 -28.94 62.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.84 -35.3 70.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.14 110.853 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -70.28 -32.35 70.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.42 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.48 -48.33 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.91 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.74 -31.9 70.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 61.13 110.913 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -35.48 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.3 110.851 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -54.39 -50.63 67.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 74.45 110.87 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -56.09 -46.62 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 51.33 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 19' ' ' LEU . 10.1 tp -59.63 -51.06 71.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.91 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.455 HD13 ' HG ' ' A' ' 118' ' ' LEU . 67.9 mt -62.38 -32.07 72.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 71.34 110.924 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.3 mt -68.49 -29.85 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 62.2 111.122 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.9 t -73.45 -24.65 60.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.841 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.584 ' HB2' HD23 ' A' ' 116' ' ' LEU . 10.4 ptp -103.58 -0.8 29.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.879 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 63.82 34.96 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 61.13 110.875 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.0 mm? -102.31 128.3 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 73.42 110.905 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.506 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -85.39 159.63 19.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 73.0 111.09 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.455 ' HG ' HD13 ' A' ' 111' ' ' LEU . 17.7 mt -99.71 143.06 30.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 64.03 110.912 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -152.57 160.26 31.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 75.23 110.887 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 170.76 15.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 72.34 112.336 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m -112.26 -175.29 2.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.67 -23.55 39.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.66 26.38 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 53.52 110.867 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -91.11 108.58 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.902 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -99.65 -171.39 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.868 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -97.18 -176.18 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 72.43 110.868 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 54.07 68.28 2.89 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.57 0.7 . . . . 74.4 110.888 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.79 55.72 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 51.33 112.334 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.27 127.19 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 70.24 111.181 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -66.99 97.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.902 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.8 mt -73.55 -29.6 62.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.963 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -99.37 44.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 62.35 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 65.33 111.1 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 72.41 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.7 p -80.93 159.7 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 72.24 111.122 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.464 HD11 HD22 ' A' ' 12' ' ' LEU . 7.1 mt -68.98 153.91 95.6 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.592 0.71 . . . . 64.24 110.915 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -18.04 37.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 53.21 112.353 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -19.74 60.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 53.41 110.841 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.53 -1.44 30.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 63.32 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.06 150.37 38.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 73.02 110.855 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 124.11 10.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 61.13 112.361 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -71.11 -57.19 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.873 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 m -54.07 -45.17 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 51.03 110.863 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -61.64 -35.53 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 63.04 110.864 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 3' ' ' LEU . 1.4 mp -73.72 -40.87 63.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 63.32 110.904 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 23' ' ' ILE . 27.4 mm -55.03 -47.76 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 41.53 111.147 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.74 -33.69 75.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.15 110.867 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.786 ' HB3' HD11 ' A' ' 110' ' ' LEU . 11.5 mttt -65.32 -53.45 43.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 63.31 110.915 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -59.05 -27.03 65.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.875 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.1 m -59.54 -21.64 60.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 41.15 111.159 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.29 -7.55 59.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.34 111.104 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.69 HD13 HD22 ' A' ' 107' ' ' LEU . 23.7 mt -104.4 4.2 33.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.936 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.56 -151.5 19.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 65.22 112.455 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.42 19.01 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.724 2.283 . . . . 73.44 112.316 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.12 134.24 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.919 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.528 HD13 ' O ' ' A' ' 13' ' ' ILE . 5.1 mp -82.75 145.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 70.33 111.168 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -83.86 93.5 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 55.34 110.872 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -91.1 -176.83 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.44 110.901 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.17 174.27 46.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 74.01 112.485 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -113.85 36.89 3.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.327 . . . . 72.33 110.917 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.6 m -95.52 -176.5 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 52.24 110.896 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -52.57 168.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 71.4 110.894 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -52.58 126.75 20.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.883 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -146.36 176.95 9.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -105.62 151.45 24.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.865 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -59.31 153.34 19.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -133.94 145.68 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.881 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -139.12 116.41 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 64.11 110.834 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -107.78 109.01 20.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 73.11 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -110.13 154.45 23.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 55.12 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 38' ' ' LEU . 12.0 mt -111.63 89.49 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.925 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.53 -72.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.09 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 t -145.73 150.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 45.53 111.154 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.6 p -82.07 143.0 31.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 71.42 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.499 HG12 ' OD1' ' A' ' 43' ' ' ASN . 21.9 t -59.09 -45.44 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 53.11 111.137 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.499 ' OD1' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -178.58 174.63 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 64.41 110.838 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.515 HG12 ' HE ' ' A' ' 51' ' ' ARG . 32.7 m -120.1 16.0 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 54.41 111.109 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -66.96 -58.45 9.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 73.44 110.913 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.3 Cg_endo -69.81 -173.59 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 75.23 112.305 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -75.57 160.09 80.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 74.34 111.12 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.77 -23.99 30.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 75.45 112.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.59 -25.42 49.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 72.5 110.91 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -104.71 -14.05 15.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.865 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HE ' HG12 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -51.72 137.18 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.851 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.486 ' HB3' HD11 ' A' ' 75' ' ' LEU . 12.8 mt-10 -113.42 156.54 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.853 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -134.21 150.08 51.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.11 110.871 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.67 ' CD1' HG11 ' A' ' 92' ' ' VAL . 59.6 m95 -80.42 135.03 36.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.961 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.99 178.23 17.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 61.52 112.466 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -62.22 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 73.14 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 64.37 82.66 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 64.45 110.944 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.536 ' SD ' HD22 ' A' ' 60' ' ' LEU . 6.7 tmm? -122.99 117.34 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 72.11 110.859 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -110.28 119.57 39.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 62.21 110.899 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.536 HD22 ' SD ' ' A' ' 58' ' ' MET . 2.4 pt? -134.31 159.07 42.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -130.94 111.4 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.51 134.21 40.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.1 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -98.96 -177.79 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 75.13 110.955 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.09 -51.0 57.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.13 110.87 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 26.87 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.31 110.856 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -144.24 172.11 13.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 74.15 110.899 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.33 151.65 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 63.42 110.901 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.5 t -124.78 156.47 37.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 65.23 111.155 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -150.32 149.3 29.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 64.03 110.891 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -140.97 160.06 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 53.25 110.876 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.1 104.71 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.919 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -135.19 146.78 49.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 54.31 110.909 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -115.08 138.43 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 64.13 110.878 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.24 172.98 20.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.688 -0.768 . . . . 54.35 112.462 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.515 HD13 HG11 ' A' ' 85' ' ' VAL . 2.5 tt -145.59 145.96 31.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 73.04 110.929 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -96.85 119.58 35.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.35 110.91 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -97.98 -175.98 3.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -58.05 -22.85 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 71.4 110.927 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -106.48 -10.61 16.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 64.11 110.867 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.09 9.01 59.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 73.42 112.526 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -77.1 155.38 32.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 74.11 110.889 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -52.7 121.79 7.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.945 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -141.18 106.38 5.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.106 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 84' ' ' VAL . 14.7 m -68.42 115.99 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.139 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.515 HG11 HD13 ' A' ' 75' ' ' LEU . 7.3 p -147.05 133.38 9.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 72.43 111.121 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.1 Cg_endo -69.78 142.61 48.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 54.13 112.32 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.523 ' HB ' HG23 ' A' ' 93' ' ' VAL . 40.0 mm -70.78 114.99 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 53.52 111.143 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -84.57 156.09 21.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.914 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 63.42 105.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.914 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -53.8 -29.33 40.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.24 111.138 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -56.59 -39.09 72.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.55 110.888 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.67 HG11 ' CD1' ' A' ' 54' ' ' TRP . 85.0 t -78.93 -43.87 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 62.54 111.166 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.523 HG23 ' HB ' ' A' ' 87' ' ' ILE . 0.4 OUTLIER -52.65 -33.31 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 75.24 111.112 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -62.46 -31.5 72.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.899 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 99' ' ' THR . 23.2 tpp180 -74.51 -36.59 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.869 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.8 -42.68 69.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.916 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.754 ' HA ' HD23 ' A' ' 100' ' ' LEU . 2.8 mm-40 -66.43 -40.16 89.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 60.33 110.887 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -70.82 -38.49 73.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.982 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 95' ' ' ARG . 11.2 p -66.13 -25.33 66.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 63.04 111.094 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.4 OUTLIER -74.13 -34.87 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.928 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.67 ' HG3' HD11 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -72.8 -49.69 28.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 62.54 110.879 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -58.67 -29.34 66.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -71.99 -38.87 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.35 110.874 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -56.9 -32.72 66.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 72.34 110.848 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.58 -47.74 45.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.857 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -67.3 -32.54 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.886 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.69 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.09 -37.83 88.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.905 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -54.81 -45.67 74.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.496 ' HA ' HD12 ' A' ' 112' ' ' ILE . 19.2 t70 -55.99 -46.79 78.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.884 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.786 HD11 ' HB3' ' A' ' 15' ' ' LYS . 30.0 tp -59.42 -50.85 72.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.882 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.632 HD23 HD22 ' A' ' 118' ' ' LEU . 2.1 mp -61.92 -30.93 71.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 65.55 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 109' ' ' ASP . 18.5 mt -68.18 -30.41 47.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 72.31 111.127 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -22.43 59.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 61.35 110.874 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.679 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -108.93 -0.19 19.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 62.23 110.865 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 59.41 44.87 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.5 mm? -102.06 132.77 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 60.24 110.91 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.85 159.94 30.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 55.24 111.128 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.632 HD22 HD23 ' A' ' 111' ' ' LEU . 4.5 mm? -100.65 143.16 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 62.32 110.897 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -127.73 153.61 77.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.644 0.735 . . . . 71.53 110.886 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.15 14.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.727 2.284 . . . . 74.32 112.331 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 t -88.64 136.56 32.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.916 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -56.61 -24.91 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.89 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -103.32 25.87 9.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.897 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -91.5 118.62 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.897 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -121.97 41.87 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 41.35 110.859 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 55.42 42.23 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.866 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -150.13 72.75 9.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.67 0.748 . . . . 74.51 110.903 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.28 62.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.234 . . . . 45.5 112.349 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.52 HG11 ' OE2' ' A' ' 97' ' ' GLU . 31.1 m -61.05 133.63 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.21 111.129 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 111.15 22.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.02 110.927 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.67 HD11 ' HG3' ' A' ' 101' ' ' ARG . 7.3 mt -72.61 -35.05 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 72.14 110.936 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.3 m -76.97 64.62 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 43.02 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 60.32 111.108 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.89 0.376 . . . . 73.24 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -81.01 159.81 24.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 75.14 111.122 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.39 153.86 95.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.721 . . . . 73.24 110.945 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -18.62 37.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 72.2 112.337 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -19.16 59.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 60.54 110.862 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.47 -0.48 30.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 70.45 112.531 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 153.64 40.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.572 0.701 . . . . 71.23 110.88 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.664 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.8 Cg_endo -69.75 124.76 11.4 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 61.23 112.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -69.78 -51.51 33.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.04 110.902 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -54.81 -44.81 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.847 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -62.13 -41.88 98.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 75.21 110.862 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.721 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.8 mm? -60.83 -41.98 96.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.895 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.83 -48.27 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 74.12 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -65.03 -37.2 86.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.922 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HB3' HD11 ' A' ' 110' ' ' LEU . 10.1 mttm -66.82 -52.11 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.882 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.721 ' CE2' HD12 ' A' ' 12' ' ' LEU . 11.7 m-85 -58.96 -28.83 66.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 50.53 110.863 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.8 m -58.89 -21.73 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.142 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.76 -7.16 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 53.41 111.073 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.712 HD13 HD22 ' A' ' 107' ' ' LEU . 28.4 mt -102.65 4.13 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.54 110.926 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.99 -148.05 14.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 54.33 112.49 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.14 19.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 73.22 112.324 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -61.63 125.07 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.957 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.8 mp -72.29 141.0 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.14 111.091 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 93.73 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.884 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -95.62 177.19 5.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.892 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.71 97.9 0.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 50.22 112.472 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -152.16 141.16 21.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 62.11 110.893 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.8 t -52.25 -31.7 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 54.14 110.866 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -139.37 51.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 65.54 110.879 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.2 95.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 52.41 110.843 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -112.89 -27.8 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 62.05 110.83 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -125.22 160.98 27.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -113.03 110.74 20.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 75.11 110.932 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -102.86 132.18 49.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.904 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -118.68 124.96 48.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.886 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.28 112.05 24.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 54.51 110.843 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -107.23 146.23 31.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.909 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 mt -92.06 116.56 29.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 60.23 110.872 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.03 -68.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 53.31 111.13 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -144.16 146.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.8 m -68.77 156.65 37.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 52.22 110.871 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 52' ' ' GLU . 92.9 t -70.11 -23.77 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.111 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.7 t30 64.85 96.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.896 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.476 HG12 ' H ' ' A' ' 45' ' ' LYS . 1.4 t -141.37 168.72 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 50.12 111.148 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.533 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 12.3 mtmt -48.12 -57.85 9.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 75.34 110.927 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.5 Cg_endo -69.8 152.37 69.06 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 62.21 112.306 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.47 159.87 1.1 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 73.02 111.14 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.71 -23.69 30.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 74.41 112.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -63.16 -23.2 67.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.877 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -106.42 1.15 25.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 63.41 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' CD ' HG21 ' A' ' 44' ' ' VAL . 2.0 tpt180 -121.57 159.95 25.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 71.23 110.855 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.2 mt-10 -86.38 166.98 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.842 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -120.45 167.39 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 70.21 110.9 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -80.91 142.39 33.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.949 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.94 119.62 0.64 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.501 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -76.65 147.1 37.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 75.51 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -118.48 116.9 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.41 ' SD ' HD22 ' A' ' 60' ' ' LEU . 9.8 tmm? -103.67 112.72 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 54.24 110.879 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.92 119.89 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.876 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.41 HD22 ' SD ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -117.83 159.19 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 72.53 110.921 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -131.15 112.46 12.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.878 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.69 116.83 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.42 111.087 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -77.38 -178.58 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.912 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -50.17 -54.89 17.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 51.43 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.4 12.76 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.32 110.892 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.772 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 24.0 ptt180 -137.49 -179.49 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.899 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.498 ' HD1' HD22 ' A' ' 116' ' ' LEU . 1.9 m-85 -130.98 147.45 52.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.85 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t -122.16 146.58 47.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.11 111.124 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.7 ' CE1' HD11 ' A' ' 111' ' ' LEU . 39.9 m-85 -135.33 161.08 36.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 65.43 110.904 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -152.68 160.71 43.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 61.24 110.873 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -111.16 110.93 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 63.3 110.936 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -135.89 124.9 24.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.913 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -92.0 165.88 12.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 71.52 110.884 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 174.32 -147.73 9.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 41.33 112.512 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 tt -133.12 146.07 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 74.5 110.934 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -103.99 110.15 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 62.43 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -95.18 -176.84 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 71.44 110.889 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -23.16 47.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.34 110.915 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.9 -9.94 59.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.929 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.34 21.59 75.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 73.33 112.449 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -94.92 159.35 15.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 74.32 110.855 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -88.3 131.76 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.66 131.83 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 63.34 111.128 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.9 m -69.79 119.77 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.106 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 t -143.82 133.06 11.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 73.23 111.112 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 141.1 44.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 53.11 112.346 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 25.5 mm -88.62 153.61 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 75.11 111.114 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -172.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.03 168.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.901 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 t -51.0 -27.83 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 71.13 111.15 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.59 -42.92 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.45 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -80.76 -48.37 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 70.54 111.118 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -33.49 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.125 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.26 -36.29 77.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -73.23 -31.45 64.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 75.41 110.882 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.1 mt -70.79 -34.7 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.95 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.529 ' HA ' HD23 ' A' ' 100' ' ' LEU . 46.1 mm-40 -65.13 -34.28 78.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.917 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -71.73 -41.39 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 74.4 110.922 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -46.64 89.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 75.12 111.129 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -66.25 -34.12 77.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 65.14 110.919 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -43.6 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.9 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.47 -29.38 64.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 73.01 110.883 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -71.4 -39.63 71.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 54.13 110.854 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -70.76 -32.57 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.886 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.48 -48.52 74.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.459 ' HG3' HD22 ' A' ' 19' ' ' LEU . 11.1 ptmt -69.54 -31.82 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 72.4 110.901 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.712 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -58.86 -35.53 73.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.922 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.44 ' HG2' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -58.91 -46.76 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 60.23 110.839 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.407 ' HA ' HD12 ' A' ' 112' ' ' ILE . 6.1 t70 -56.07 -45.93 79.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 64.04 110.884 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 19' ' ' LEU . 22.0 tp -58.85 -49.97 75.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 54.23 110.901 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' A' ' 69' ' ' TYR . 58.2 mt -64.24 -37.38 87.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 54.43 110.911 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.44 HD11 ' HG2' ' A' ' 108' ' ' ARG . 25.9 mt -60.73 -38.73 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.45 111.127 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -21.08 60.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 63.11 110.842 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.506 ' HB3' HD12 ' A' ' 116' ' ' LEU . 5.9 mtm -94.54 -7.75 40.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 63.05 110.893 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 58.34 42.9 20.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.837 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.506 HD12 ' HB3' ' A' ' 114' ' ' MET . 0.8 OUTLIER -103.2 173.76 6.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.935 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.772 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -96.45 141.46 29.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.02 111.073 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.579 HD22 HD12 ' A' ' 111' ' ' LEU . 32.8 tp -129.52 112.58 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 75.2 110.876 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -127.16 157.29 72.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 71.21 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 171.37 14.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 53.51 112.305 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.2 t -76.74 136.9 39.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.87 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -58.74 -22.18 57.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.879 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -97.13 25.99 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -116.21 107.71 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -101.53 -73.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 65.52 110.873 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -162.28 110.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -174.8 71.34 0.3 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.72 . . . . 71.45 110.9 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 152.54 69.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 72.42 112.407 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.575 HG23 ' CD1' ' A' ' 131' ' ' LEU . 18.7 m -104.09 131.31 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 62.21 111.123 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -79.93 97.49 6.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 53.53 110.859 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' A' ' 129' ' ' VAL . 10.4 mp -73.64 -30.94 63.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.892 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.8 m -102.14 49.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 62.04 110.864 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 74.43 111.152 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.85 0.357 . . . . 74.02 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.4 p -128.6 160.69 31.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 73.53 111.15 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.841 HD11 HD22 ' A' ' 12' ' ' LEU . 5.4 mt -64.39 153.76 85.53 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.597 0.713 . . . . 73.11 110.949 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -17.16 37.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 62.4 112.38 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -77.51 -19.18 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 62.33 110.854 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.69 3.37 30.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.793 -0.718 . . . . 61.22 112.504 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.552 ' HB3' HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -94.66 144.37 27.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 71.25 110.853 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' O ' HD13 ' A' ' 12' ' ' LEU . 53.2 Cg_endo -69.77 124.55 11.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 64.04 112.365 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -70.86 -54.46 11.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 65.4 110.895 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 m -54.33 -45.13 72.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 61.44 110.915 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -61.73 -35.07 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 72.52 110.885 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.841 HD22 HD11 ' A' ' 3' ' ' LEU . 3.0 mp -70.39 -43.89 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mm -55.59 -42.99 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 65.14 111.138 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -67.7 -43.63 79.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 62.15 110.935 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' HD2' HD11 ' A' ' 110' ' ' LEU . 2.7 mtmp? -62.51 -47.18 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.05 110.936 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.05 -29.94 67.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.14 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 m -65.06 -21.4 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 44.31 111.147 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.78 -7.59 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.4 111.125 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.915 HD11 HD22 ' A' ' 110' ' ' LEU . 14.3 mt -104.67 4.33 32.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 71.44 110.854 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . 162.99 -145.7 10.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 64.25 112.453 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 53.5 Cg_endo -69.77 167.4 24.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 70.24 112.355 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -62.69 145.92 53.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 62.52 110.933 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.8 mp -94.84 143.4 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 74.44 111.131 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -71.9 93.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -100.32 111.57 23.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 52.12 110.912 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.23 -178.66 15.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.722 . . . . 62.32 112.458 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -66.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 72.22 110.886 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.3 p -124.88 -41.01 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.55 110.867 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.88 124.07 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.904 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -166.26 135.76 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.881 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -113.57 -70.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 71.14 110.849 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -112.0 161.05 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 45.12 110.859 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -79.74 132.85 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 65.42 110.882 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 23' ' ' ILE . 66.9 t80 -93.19 149.29 21.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.858 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -150.39 116.48 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.43 110.845 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -107.2 112.39 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 70.21 110.848 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.9 t -106.77 144.04 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.868 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD22 ' CD2' ' A' ' 53' ' ' PHE . 48.2 mt -110.98 132.12 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.897 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.65 -55.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 74.52 111.094 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -149.21 146.31 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 11.5 t -89.49 108.49 19.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 62.14 110.918 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -81.69 -22.26 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 52.54 111.086 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -113.88 94.56 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 51.31 110.917 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.62 -32.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 54.34 111.153 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 3.7 mtpm? -50.35 -57.95 11.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 74.42 110.933 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.9 Cg_endo -69.77 -170.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 73.4 112.358 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -69.01 159.53 82.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.564 0.697 . . . . 33.12 111.094 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.79 -23.34 30.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 51.4 112.349 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.39 -21.22 65.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.57 17.42 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 61.14 110.902 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -57.81 153.4 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 74.4 110.827 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -137.03 144.41 43.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.942 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CD2' HD22 ' A' ' 38' ' ' LEU . 5.7 m-85 -124.06 152.78 42.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.858 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.607 ' CD1' HG11 ' A' ' 92' ' ' VAL . 19.4 m95 -87.62 128.33 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 73.32 110.933 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.34 163.62 32.55 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 51.42 112.527 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -114.07 117.25 30.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 73.23 110.866 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -57.94 154.7 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.33 110.938 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.5 ttt -139.05 112.45 8.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.852 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -113.48 113.24 24.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.21 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 pp -134.64 159.46 41.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 75.31 110.9 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -137.85 112.25 8.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.939 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . . . -51.09 115.01 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.23 111.116 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.6 -178.28 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 73.53 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.67 -64.72 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.842 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.73 41.46 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.854 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.757 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 9.7 ptp180 -169.46 -179.5 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.12 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -137.92 164.25 29.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 61.1 110.887 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.8 t -141.41 164.32 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 54.31 111.111 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -150.85 143.77 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.925 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -119.47 158.4 26.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.871 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -121.49 107.98 13.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.909 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -135.83 131.4 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 73.03 110.881 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -91.91 152.21 20.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 65.25 110.904 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.08 -136.82 2.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.771 -0.728 . . . . 72.21 112.491 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 tt -145.21 143.45 30.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 75.55 110.932 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -100.19 117.11 33.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.23 110.872 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.47 -175.86 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 64.23 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -80.58 -29.49 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 63.14 110.914 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.97 -8.26 17.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.901 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.69 19.72 26.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 74.52 112.515 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.42 124.7 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 72.2 110.902 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -76.64 121.21 22.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 71.53 110.894 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.0 m -145.87 109.28 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 62.42 111.165 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 84' ' ' VAL . 13.5 m -66.11 114.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 73.55 111.084 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.4 m -129.97 152.52 80.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.656 0.741 . . . . 62.21 111.133 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.13 53.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.701 2.267 . . . . 70.53 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.84 HG21 HG23 ' A' ' 93' ' ' VAL . 43.0 mm -97.18 114.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 71.23 111.091 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -96.73 149.21 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.867 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 64.02 107.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 t -56.49 -28.09 58.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 63.32 111.17 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -53.37 -34.99 59.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.869 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.607 HG11 ' CD1' ' A' ' 54' ' ' TRP . 98.0 t -81.04 -33.46 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.42 111.139 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.84 HG23 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -70.34 -34.47 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.43 111.088 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -27.28 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 55.34 110.864 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 99' ' ' THR . 22.5 tpp180 -69.48 -38.3 77.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.882 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.57 -35.3 73.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.2 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.51 -43.59 79.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.865 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -72.12 -41.89 66.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.907 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 95' ' ' ARG . 61.9 p -61.29 -47.1 87.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 65.4 111.122 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.3 pp -70.7 -34.78 72.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.939 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.2 -45.92 72.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 73.1 110.849 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.92 -29.04 62.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 52.32 110.936 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 107' ' ' LEU . 37.9 t80 -57.81 -35.84 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.867 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -70.07 -32.48 70.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.849 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.36 -48.23 82.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 62.04 110.887 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -73.16 -32.13 64.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 60.22 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.73 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -60.67 -35.64 76.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.953 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -61.84 -42.4 98.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 65.22 110.833 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 112' ' ' ILE . 37.9 t70 -55.87 -46.57 78.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.871 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.915 HD22 HD11 ' A' ' 19' ' ' LEU . 57.9 tp -59.98 -50.4 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.913 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.542 ' CD2' HD13 ' A' ' 118' ' ' LEU . 6.5 mp -62.75 -32.71 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.952 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.9 mt -66.72 -36.35 77.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 72.34 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -73.24 -25.12 60.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 61.11 110.842 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.637 ' HB3' HD23 ' A' ' 116' ' ' LEU . 3.9 mtm -93.77 -8.41 40.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 63.01 110.876 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 64.6 42.51 4.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.871 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.637 HD23 ' HB3' ' A' ' 114' ' ' MET . 3.8 mm? -105.48 135.55 46.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.897 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.757 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -62.94 156.23 25.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 71.4 111.103 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.542 HD13 ' CD2' ' A' ' 111' ' ' LEU . 28.4 tp -129.15 140.39 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 53.44 110.886 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.24 157.88 31.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 74.1 110.886 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 171.15 14.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 74.14 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 p -73.64 153.71 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 70.22 110.854 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.4 -22.21 64.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 64.41 110.834 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -95.82 26.18 4.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 65.3 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -106.19 107.56 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.5 110.923 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -110.8 -74.38 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.915 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -154.78 -179.15 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.896 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.16 68.36 1.87 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 61.3 110.916 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.87 55.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 63.23 112.348 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.7 p -55.73 123.16 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 71.24 111.108 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -67.54 97.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 54.14 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.9 mt -73.7 -26.54 60.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.934 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -92.45 52.08 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 60.34 110.851 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 65.13 111.068 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mmm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.808 0.337 . . . . 73.54 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.8 p -76.87 159.91 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.11 111.159 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.432 HD11 ' HG ' ' A' ' 12' ' ' LEU . 7.1 mt -70.77 154.23 94.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 63.54 110.915 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -18.77 36.96 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.669 2.246 . . . . 63.54 112.343 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -74.72 -19.36 60.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 50.34 110.86 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.33 0.85 31.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 74.1 112.484 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.87 149.6 37.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.721 . . . . 72.42 110.867 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.608 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.79 125.13 11.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 52.41 112.341 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -49.55 57.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.912 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -55.23 -32.8 62.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 52.33 110.837 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.43 -46.45 22.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.886 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.797 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.3 mm? -58.41 -47.05 85.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 60.3 110.882 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mm -59.03 -44.84 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 40.44 111.11 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -41.25 83.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.921 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.745 ' HB3' HD11 ' A' ' 110' ' ' LEU . 31.6 mttm -64.52 -49.8 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.859 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.797 ' CE2' HD12 ' A' ' 12' ' ' LEU . 16.3 m-85 -58.97 -29.63 67.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 64.41 110.859 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -61.76 -21.73 64.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 63.32 111.171 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.02 -8.15 59.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 50.34 111.169 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.822 HD11 HD22 ' A' ' 110' ' ' LEU . 36.0 mt -105.05 3.7 30.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 65.33 110.909 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.1 -151.14 17.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 73.53 112.462 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.5 21.37 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.273 . . . . 53.5 112.325 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -62.39 124.05 19.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 64.51 110.896 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.8 mp -74.99 134.76 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 73.31 111.15 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -80.39 93.6 6.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.856 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 165.97 24.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.869 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.89 -163.24 31.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 64.14 112.474 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -128.69 80.64 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 74.1 110.901 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.1 m 56.02 28.51 12.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.872 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -118.6 137.06 53.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.34 110.894 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -67.22 121.51 15.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.843 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -173.49 176.89 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.885 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -98.1 154.67 17.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 75.22 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -61.43 156.42 19.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.913 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.7 t80 -113.9 126.6 55.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.12 110.856 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -128.29 120.79 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 74.42 110.843 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -106.96 111.87 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.04 110.828 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -107.15 127.37 53.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 70.33 110.856 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.6 mt -110.96 105.49 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 72.3 110.97 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.18 -55.45 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 50.3 111.123 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.05 149.8 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.077 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.75 134.41 34.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 52' ' ' GLU . 6.6 p -81.39 -27.35 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 71.34 111.185 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -174.78 119.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 33.31 110.879 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' VAL . 9.1 t -125.89 -1.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.11 111.081 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.652 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 18.9 mttt -65.99 -51.74 44.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 74.31 110.905 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.5 Cg_endo -69.81 179.13 3.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 61.11 112.346 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.46 159.97 1.08 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.69 . . . . 74.13 111.141 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.3 Cg_endo -69.73 -24.0 30.31 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.688 2.258 . . . . 75.12 112.39 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -63.68 -25.6 68.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.908 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -111.68 17.05 20.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.909 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -88.35 128.7 35.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.03 110.832 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.585 ' O ' HG12 ' A' ' 42' ' ' VAL . 31.5 mt-10 -137.06 163.66 30.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 73.5 110.878 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -131.0 166.25 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 65.12 110.905 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.548 ' CZ3' HD13 ' A' ' 87' ' ' ILE . 27.2 m95 -90.62 159.63 16.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.941 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.8 151.1 6.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 72.13 112.463 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 -103.38 120.13 40.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.744 0.307 . . . . 71.32 110.978 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 22.3 m0 -54.44 134.55 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 75.31 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.446 ' SD ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -121.61 112.1 18.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.03 110.909 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.02 124.25 51.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 72.45 110.902 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.786 HD13 ' CE2' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -134.56 148.42 50.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.916 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -137.93 114.97 10.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 75.02 110.865 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.37 113.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.078 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -77.62 -174.4 3.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.912 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -51.32 -57.85 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.875 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -138.6 26.88 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.886 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.782 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 21.9 ptt180 -152.02 -179.57 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.886 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -127.18 151.52 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.879 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -141.69 138.47 32.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 61.1 111.114 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.786 ' CE2' HD13 ' A' ' 60' ' ' LEU . 17.6 m-85 -126.18 171.22 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.01 110.885 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -142.38 144.36 33.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 74.21 110.896 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -113.9 110.7 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.939 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -129.22 143.83 51.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -91.73 138.62 31.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.05 110.852 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.74 -142.08 3.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 65.24 112.483 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.949 HD13 HG11 ' A' ' 85' ' ' VAL . 2.7 tp -145.52 145.83 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 62.44 110.897 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -121.81 110.65 16.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.22 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.56 169.98 9.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 60.25 110.912 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -81.5 -29.27 33.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 54.12 110.877 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -84.2 -9.79 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 60.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.09 18.16 72.73 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.711 . . . . 54.43 112.487 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -86.53 121.39 29.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 73.42 110.907 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -66.23 122.56 17.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 71.33 110.921 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -136.97 106.34 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 62.04 111.154 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.9 m -67.45 119.14 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 71.32 111.125 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.949 HG11 HD13 ' A' ' 75' ' ' LEU . 7.2 p -148.28 133.87 9.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 51.2 111.151 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.443 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.6 Cg_endo -69.82 140.4 42.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.27 . . . . 75.22 112.342 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.548 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 35.2 mm -64.85 148.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.5 111.176 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.05 -173.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.914 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -49.86 168.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.877 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.0 t -50.7 -29.35 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 61.5 111.182 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.15 -41.46 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.887 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.3 t -81.46 -31.86 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 74.33 111.113 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -34.75 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.191 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.26 -27.65 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.934 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -69.96 -45.25 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 64.55 110.866 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.77 -35.2 72.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.954 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -56.95 -33.89 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -68.99 -47.94 64.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.894 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.4 p -63.18 -35.57 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 34.15 111.136 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 101' ' ' ARG . 2.2 tt -57.89 -44.2 86.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.95 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.407 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.6 tpt180 -69.06 -45.33 70.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 43.32 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -62.64 -29.44 70.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 64.24 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -41.61 91.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -70.38 -32.64 70.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.19 -48.23 44.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 60.23 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -62.44 -32.13 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 70.02 110.888 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.589 HD22 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -69.54 -35.48 75.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.907 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.531 ' HD3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -54.32 -46.96 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.91 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.498 ' HA ' HD12 ' A' ' 112' ' ' ILE . 25.4 t0 -55.72 -46.88 77.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 55.41 110.915 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.822 HD22 HD11 ' A' ' 19' ' ' LEU . 11.8 tp -61.54 -51.87 66.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.886 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 107' ' ' LEU . 1.1 mp -59.46 -32.48 70.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 52.11 110.906 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.531 HD11 ' HD3' ' A' ' 108' ' ' ARG . 23.0 mt -63.28 -30.15 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.01 111.155 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.6 t -69.54 -30.19 67.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 62.44 110.877 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.679 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -98.22 -5.84 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 43.12 110.897 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 63.7 48.64 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 60.34 110.869 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.5 mm? -102.95 173.93 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 60.23 110.89 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.782 ' HB3' ' HB2' ' A' ' 66' ' ' ARG . . . -104.19 144.71 31.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 62.15 111.091 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.579 HD13 ' HE1' ' A' ' 69' ' ' TYR . 17.2 tp -129.74 117.33 20.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 70.4 110.897 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -147.45 159.97 40.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.674 0.75 . . . . 65.22 110.867 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.4 14.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 71.14 112.369 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.7 p -73.36 133.13 43.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 71.13 110.866 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -62.76 -17.02 60.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 62.52 110.894 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -91.98 13.89 17.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.05 110.922 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -94.81 130.87 41.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.91 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -99.14 -175.03 2.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -70.78 -173.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.869 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 63.09 70.54 0.73 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.651 0.739 . . . . 74.42 110.915 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.99 55.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 54.31 112.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.479 ' O ' HD12 ' A' ' 131' ' ' LEU . 8.9 p -54.18 128.91 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 64.35 111.121 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -79.1 97.84 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 45.42 110.886 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 129' ' ' VAL . 5.4 mp -73.64 -26.03 60.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.935 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.0 m -103.92 52.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 63.24 110.879 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 31.44 111.091 179.904 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.83 0.348 . . . . 74.33 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.5 p -136.9 154.28 50.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 64.3 111.114 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD21 ' HG3' ' A' ' 9' ' ' LYS . 3.8 mt -75.74 155.02 85.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.585 0.707 . . . . 74.15 110.902 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 3' ' ' LEU . 54.0 Cg_endo -69.77 -17.44 37.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.242 . . . . 71.25 112.336 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -75.57 -20.99 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.884 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.29 3.2 31.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 52.42 112.516 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 149.16 36.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 62.53 110.864 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.647 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.77 124.78 11.41 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 72.1 112.34 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HG3' HD21 ' A' ' 3' ' ' LEU . 37.7 tttt -70.06 -52.2 25.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.884 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 p -54.18 -44.2 71.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 52.4 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -61.72 -45.7 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.865 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.807 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.8 mm? -58.01 -41.95 84.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 61.43 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mm -59.89 -45.63 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.13 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -68.03 -39.0 83.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.877 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' HB3' HD11 ' A' ' 110' ' ' LEU . 13.9 mtmt -64.96 -51.0 64.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 55.51 110.878 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.807 ' CE2' HD12 ' A' ' 12' ' ' LEU . 16.8 m-85 -59.1 -30.2 67.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 74.43 110.903 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.1 m -59.77 -21.94 61.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 62.31 111.148 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.94 -7.41 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.12 111.127 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.82 HD11 HD22 ' A' ' 110' ' ' LEU . 69.3 mt -104.61 4.46 32.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 65.14 110.923 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.99 -152.16 17.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 63.31 112.493 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 169.16 19.6 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.71 2.273 . . . . 63.35 112.346 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -61.78 125.59 24.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 75.41 110.931 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 23' ' ' ILE . 5.1 mp -77.97 143.14 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.112 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -85.41 127.69 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 73.43 110.831 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.37 -61.29 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.873 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.75 174.11 32.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 72.44 112.478 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -110.56 -28.04 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 73.33 110.918 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 m -70.54 151.43 45.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 52.24 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -119.27 159.98 23.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.889 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 52.26 61.99 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 71.43 110.86 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -141.37 -178.15 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.864 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -98.05 141.78 30.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.899 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -57.32 148.48 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 54.13 110.876 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -144.13 128.48 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 70.35 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.72 156.15 32.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 62.33 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.74 111.61 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 75.15 110.874 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.8 m -107.56 82.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.58 HD22 ' HD1' ' A' ' 53' ' ' PHE . 6.9 mt -84.5 134.74 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 71.53 110.895 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.66 ' HB1' ' HG2' ' A' ' 95' ' ' ARG . . . -121.58 -50.3 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.108 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -142.12 148.52 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 42.54 111.083 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -89.32 154.11 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 71.32 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.696 HG12 ' CE2' ' A' ' 54' ' ' TRP . 19.1 m -80.53 -30.69 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 70.24 111.121 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -178.6 154.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 44' ' ' VAL . 9.7 p -128.55 1.89 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 63.31 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.528 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.6 mtmp? -51.52 -58.28 11.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 61.23 110.906 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.4 Cg_endo -69.78 -172.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.229 . . . . 70.45 112.331 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.726 ' HB3' ' HB2' ' A' ' 50' ' ' LYS . . . -51.65 160.05 1.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 52.21 111.101 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.74 -48.5 0.71 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.706 2.27 . . . . 73.21 112.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -80.24 -1.44 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.911 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.726 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 8.2 mtpm? -107.95 17.1 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 63.03 110.896 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 48' ' ' PRO . 17.3 ptt180 -110.73 158.38 18.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 63.44 110.848 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' OE1' HD21 ' A' ' 75' ' ' LEU . 4.1 mt-10 -113.42 166.95 11.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.858 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.58 ' HD1' HD22 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -143.29 148.56 36.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 72.14 110.88 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.696 ' CE2' HG12 ' A' ' 42' ' ' VAL . 88.0 m95 -80.87 159.9 24.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.926 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.757 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . 152.74 160.41 9.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.43 112.5 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.622 ' CD2' HD12 ' A' ' 100' ' ' LEU . 10.9 p-90 -125.33 133.52 52.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 75.44 110.898 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -83.37 173.19 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 71.34 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.22 111.4 12.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.884 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.28 129.46 56.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.892 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.735 HD13 ' CE2' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -136.45 159.69 41.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 63.42 110.94 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 68' ' ' THR . 3.6 tt0 -128.65 111.18 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 55.11 110.893 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.14 112.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 74.45 111.064 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -78.05 -176.65 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 73.12 110.898 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.52 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.86 41.72 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.921 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.74 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 16.5 ptt180 -168.43 -179.76 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.861 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.418 ' HD1' HD12 ' A' ' 116' ' ' LEU . 1.8 m-85 -130.67 152.69 49.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 73.01 110.929 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 61' ' ' GLU . 9.4 t -134.73 142.18 46.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 71.03 111.149 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.735 ' CE2' HD13 ' A' ' 60' ' ' LEU . 47.1 m-85 -133.57 172.23 13.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.926 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -152.97 160.61 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 74.22 110.842 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -119.15 110.83 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.41 110.92 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -136.12 132.67 36.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.23 110.934 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CE1' HD13 ' A' ' 100' ' ' LEU . 9.8 m-85 -91.76 164.86 13.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 62.51 110.888 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.74 -162.82 34.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 54.31 112.506 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.709 HD13 HG21 ' A' ' 85' ' ' VAL . 1.3 tt -145.33 145.7 31.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 62.54 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -94.67 121.24 36.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.12 110.856 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.71 169.98 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 73.33 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -81.0 -25.35 37.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.908 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -78.41 -9.76 59.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.928 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.08 18.5 79.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 60.31 112.476 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -103.23 139.27 38.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 75.33 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -51.96 121.81 7.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.41 110.912 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 m -145.61 106.29 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.164 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 84' ' ' VAL . 17.3 m -93.82 120.7 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 73.43 111.108 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.709 HG21 HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -128.56 157.82 73.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.608 0.718 . . . . 72.44 111.135 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.31 56.66 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.738 2.292 . . . . 72.53 112.342 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.412 HD13 ' CE3' ' A' ' 54' ' ' TRP . 35.0 mm -87.32 116.23 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.14 111.155 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -89.24 149.85 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.835 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.1 113.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -52.09 -31.85 32.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 73.41 111.119 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.48 -36.03 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.881 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.422 ' O ' HD23 ' A' ' 96' ' ' LEU . 96.4 t -79.96 -32.91 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 73.34 111.169 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -34.63 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 70.44 111.109 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.41 -29.06 64.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 65.32 110.864 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.66 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 21.3 tpp180 -73.53 -39.88 64.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.852 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.757 HD11 ' HA2' ' A' ' 55' ' ' GLY . 4.1 mm? -69.12 -41.8 76.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 62.24 110.912 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.494 ' HG3' HD23 ' A' ' 131' ' ' LEU . 33.4 tt0 -66.52 -36.92 83.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.51 110.891 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -60.54 -50.4 73.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.947 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -39.49 63.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 64.13 111.157 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.747 HD21 HG21 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -62.36 -51.33 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 70.01 110.939 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -60.52 -39.34 87.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 73.22 110.859 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.95 -28.8 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.891 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -48.27 80.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.863 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -40.69 70.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.862 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -72.04 -47.22 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 64.21 110.92 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -32.58 72.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.879 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.691 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -70.92 -35.8 72.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.921 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -45.55 72.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.876 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 112' ' ' ILE . 11.1 t70 -56.03 -46.04 78.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 64.25 110.87 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.82 HD22 HD11 ' A' ' 19' ' ' LEU . 12.0 tp -58.84 -50.63 73.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.924 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.724 HD21 ' OH ' ' A' ' 69' ' ' TYR . 72.5 mt -63.54 -37.68 88.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 41.52 110.88 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 109' ' ' ASP . 25.2 mt -60.72 -38.78 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.099 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -73.82 -20.51 60.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 52.13 110.874 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.501 ' HB3' HD23 ' A' ' 116' ' ' LEU . 6.4 mtm -96.84 -8.11 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 71.4 110.855 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.93 38.77 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 73.33 110.908 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' A' ' 114' ' ' MET . 3.4 mm? -103.28 135.99 43.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 63.44 110.909 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.74 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -67.87 136.11 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 64.33 111.093 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.482 ' HB2' HD13 ' A' ' 111' ' ' LEU . 27.0 tp -129.62 143.06 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 63.11 110.957 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -155.44 160.05 31.18 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.739 . . . . 63.31 110.867 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 171.34 14.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 74.42 112.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 m -57.05 179.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 52.12 110.879 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -67.44 -31.98 72.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.11 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -111.81 26.3 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -130.64 152.67 49.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 62.43 110.848 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -114.36 179.4 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 62.11 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -71.3 88.78 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.843 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -164.64 160.73 15.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 72.01 110.906 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 143.8 52.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.675 2.25 . . . . 75.54 112.375 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.747 HG21 HD21 ' A' ' 100' ' ' LEU . 6.2 p -55.34 114.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 72.41 111.136 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -96.79 96.53 8.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.909 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.494 HD23 ' HG3' ' A' ' 97' ' ' GLU . 3.2 mm? -74.31 -36.09 63.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.888 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.1 t -95.35 65.06 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.845 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 70.33 111.082 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 72.43 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -76.25 156.75 33.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.33 111.144 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.516 HD12 ' OG ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -96.34 161.09 28.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 54.42 110.907 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 3' ' ' LEU . 53.7 Cg_endo -69.78 -14.54 36.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.242 . . . . 71.5 112.364 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.516 ' OG ' HD12 ' A' ' 3' ' ' LEU . 1.3 p -61.58 -24.0 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 64.14 110.877 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.09 -25.81 17.28 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 55.02 112.462 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.423 ' HB2' HD21 ' A' ' 12' ' ' LEU . 41.7 m-70 -86.13 152.32 55.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 73.21 110.875 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.42 19.3 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 64.11 112.344 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HB2' HD23 ' A' ' 3' ' ' LEU . 12.5 tttp -63.4 -24.32 67.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 70.44 110.896 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.3 p -68.83 -39.17 80.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.857 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -78.36 -42.89 29.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 70.13 110.825 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.761 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.5 mm? -58.15 -49.38 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 42.42 110.939 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.617 HG21 ' HG2' ' A' ' 25' ' ' GLU . 28.3 mm -62.29 -43.25 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 61.54 111.112 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -65.34 -38.14 89.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.894 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HB3' HD11 ' A' ' 110' ' ' LEU . 1.7 mtmp? -71.57 -48.4 48.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.893 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.761 ' CE2' HD12 ' A' ' 12' ' ' LEU . 14.8 m-85 -59.1 -23.1 61.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 63.12 110.846 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.1 m -66.24 -21.84 66.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 54.14 111.151 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -7.27 58.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.01 111.075 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.743 HD11 HD22 ' A' ' 110' ' ' LEU . 44.2 mt -102.17 4.25 39.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.94 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.13 -150.38 16.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.683 -0.77 . . . . 73.32 112.464 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.8 20.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 71.12 112.345 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -62.12 122.08 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 75.34 110.962 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.6 mp -73.89 141.59 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.12 111.135 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -83.44 93.34 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.32 110.89 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.617 ' HG2' HG21 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -97.78 124.72 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 72.35 110.936 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.75 -152.99 7.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 71.24 112.492 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -87.66 142.93 27.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 60.14 110.931 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -174.11 138.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.5 -39.87 94.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.957 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.37 146.13 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 44.42 110.84 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -105.59 79.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -139.93 154.46 47.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.908 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -105.75 111.08 23.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.856 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -112.13 128.1 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 64.11 110.897 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -120.55 146.58 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 74.51 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -107.03 112.71 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -106.4 143.83 33.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.917 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 76' ' ' PHE . 60.5 mt -111.02 118.43 36.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 64.25 110.893 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.03 -68.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 40.54 111.066 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.7 t -140.66 136.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 72.13 111.118 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.5 m -75.55 147.99 39.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 75.02 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 52' ' ' GLU . 99.3 t -61.31 -51.88 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 54.22 111.123 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.441 ' OD1' HG12 ' A' ' 42' ' ' VAL . 18.9 m-20 -130.32 164.59 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 70.1 110.892 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -119.91 -32.09 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.151 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 6.9 mttt -52.5 -58.36 12.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 64.43 110.895 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.75 -171.38 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.725 2.283 . . . . 63.53 112.322 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 50' ' ' LYS . . . -81.77 159.93 65.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.69 . . . . 63.35 111.088 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.74 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 70.23 112.339 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -70.67 -21.19 62.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.876 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 59.1 mttt -84.11 -14.0 51.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 71.53 110.9 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -121.28 159.68 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.546 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.2 mp0 -92.47 164.8 13.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 63.24 110.846 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -125.07 154.58 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 74.3 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.566 ' HZ3' HG23 ' A' ' 85' ' ' VAL . 75.6 m95 -88.85 144.89 25.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.33 132.27 1.4 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.752 -0.737 . . . . 71.54 112.513 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -89.41 129.49 35.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 75.13 110.942 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -82.98 146.62 28.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.946 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.667 ' CE ' HD23 ' A' ' 60' ' ' LEU . 4.8 tmm? -113.37 112.83 24.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 25.54 110.857 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.36 113.53 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.895 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.667 HD23 ' CE ' ' A' ' 58' ' ' MET . 3.7 pp -117.34 155.29 29.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.923 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -122.36 111.38 16.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 64.35 110.932 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.61 113.7 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.4 111.137 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.523 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 1.4 mm100 -78.27 -173.77 3.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 70.22 110.947 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.523 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 2.7 mt-10 -54.11 -64.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 72.54 110.912 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.17 37.83 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 75.15 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.729 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 10.8 ptt180 -163.21 172.41 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.21 110.892 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.634 ' HB3' HD21 ' A' ' 111' ' ' LEU . 2.2 m-85 -127.85 144.6 51.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.879 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -141.53 136.21 30.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 75.23 111.171 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -124.63 172.56 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.909 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 mtt85 -145.42 153.16 40.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 71.33 110.889 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -91.57 117.68 29.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 70.12 110.916 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -135.81 117.62 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 71.33 110.891 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -93.37 158.59 15.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 62.2 110.868 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 176.27 -143.3 6.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.496 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 85' ' ' VAL . 2.9 tt -145.18 145.49 31.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.342 . . . . 75.31 110.922 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CD2' HD21 ' A' ' 38' ' ' LEU . 74.5 t80 -101.33 95.4 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.846 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.22 171.54 12.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.908 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -81.34 -24.99 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 64.1 110.902 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.19 -9.77 59.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.55 19.33 77.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 71.34 112.451 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -98.01 158.81 15.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 55.53 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -68.56 121.8 17.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 52.21 110.919 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.7 m -145.74 111.27 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 63.34 111.117 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 84' ' ' VAL . 16.7 m -97.71 120.38 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.133 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.766 HG21 HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -136.67 157.87 74.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.73 . . . . 74.5 111.098 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 149.72 66.85 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.248 . . . . 72.13 112.369 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.4 mm -93.05 115.36 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 71.05 111.146 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -87.11 152.09 22.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.02 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.09 104.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.909 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.2 t -54.45 -27.94 40.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 65.43 111.148 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -54.17 -35.98 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 61.44 110.908 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -78.67 -46.08 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.118 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -33.2 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.142 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.92 -34.35 77.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.581 ' O ' HG23 ' A' ' 99' ' ' THR . 20.4 tpp85 -66.61 -35.97 81.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 72.14 110.825 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.75 -40.94 75.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.932 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.45 -38.38 84.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 64.34 110.901 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -69.63 -50.78 40.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 64.33 110.889 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 95' ' ' ARG . 33.0 p -64.01 -27.64 69.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.119 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 tt -58.52 -48.27 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 61.35 110.892 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -47.51 65.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 54.2 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -57.74 -29.38 64.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.935 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -64.68 -43.53 93.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.907 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.561 ' NE2' HD21 ' A' ' 118' ' ' LEU . 20.1 t-80 -70.2 -32.83 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 72.22 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -49.03 76.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.895 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -74.15 -32.5 63.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 63.23 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.618 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -67.48 -35.49 79.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.856 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.74 ' HD3' HD22 ' A' ' 118' ' ' LEU . 26.7 tpt180 -66.58 -44.44 82.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 63.43 110.883 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -56.16 -46.78 79.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.821 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.743 HD22 HD11 ' A' ' 19' ' ' LEU . 12.2 tp -59.31 -51.7 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.928 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.634 HD21 ' HB3' ' A' ' 67' ' ' PHE . 1.7 mp -59.42 -32.57 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 65.32 110.868 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.08 -30.3 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.49 -30.56 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 72.04 110.888 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.664 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -96.26 -4.65 41.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.912 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 63.29 48.91 3.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.865 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.664 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.1 mm? -103.14 133.1 48.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.857 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.729 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -62.04 140.65 58.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 64.4 111.136 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.74 HD22 ' HD3' ' A' ' 108' ' ' ARG . 6.2 tp -121.84 141.56 51.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.937 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -145.64 160.23 45.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 74.25 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.35 14.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.262 . . . . 71.23 112.342 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.0 t -81.66 129.72 34.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 61.55 110.85 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -61.77 -18.01 58.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 73.44 110.819 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -76.81 -9.34 58.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.874 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -106.95 136.0 47.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -123.94 74.36 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.881 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.0 t0 53.55 40.73 31.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.867 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -144.53 68.53 14.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 73.24 110.917 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.18 68.85 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 2.258 . . . . 70.51 112.321 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.497 HG23 HD22 ' A' ' 131' ' ' LEU . 16.5 m -53.93 147.83 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.53 111.158 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -75.67 97.49 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 65.45 110.964 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.497 HD22 HG23 ' A' ' 129' ' ' VAL . 4.5 mm? -73.14 -27.6 61.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 75.24 110.919 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 94.2 p -105.25 58.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.867 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 71.12 111.088 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.882 0.373 . . . . 74.15 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -88.33 159.92 17.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 75.05 111.151 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.07 153.82 91.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 74.35 110.885 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -17.23 37.81 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 41.43 112.323 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -18.94 58.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.861 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.33 1.17 31.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 73.43 112.538 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.65 150.25 37.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 65.35 110.892 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.609 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.6 Cg_endo -69.8 125.32 11.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.264 . . . . 72.31 112.336 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -69.21 -50.13 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.7 t -54.49 -36.69 64.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 61.24 110.838 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -46.14 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.853 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.785 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.3 mm? -58.96 -48.86 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.906 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mm -55.7 -48.04 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.13 111.152 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -65.35 -47.33 76.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 64.35 110.919 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HB3' HD11 ' A' ' 110' ' ' LEU . 9.7 mtpt -57.59 -49.71 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 71.42 110.946 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.785 ' CE2' HD12 ' A' ' 12' ' ' LEU . 15.9 m-85 -58.9 -33.36 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.41 110.875 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.6 m -63.3 -21.15 66.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 51.52 111.109 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.52 57.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 70.33 111.092 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.979 HD11 HD22 ' A' ' 110' ' ' LEU . 10.0 mt -105.36 4.06 30.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 73.11 110.861 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.13 -145.99 10.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 62.51 112.498 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 165.09 32.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 2.263 . . . . 73.14 112.35 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -63.45 141.37 58.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 55.31 110.931 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.7 mp -94.05 136.35 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 62.1 111.132 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.23 93.78 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.907 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.74 159.3 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.43 110.905 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.95 142.7 9.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 60.43 112.516 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -116.42 55.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 65.33 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 p -119.0 -38.15 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.905 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -158.05 172.44 18.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 62.03 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -74.9 123.11 24.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.813 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -153.97 177.3 11.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 62.34 110.867 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -98.79 160.49 14.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.882 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -68.74 133.45 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 62.24 110.917 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.478 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.8 m-85 -101.02 122.21 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 71.15 110.869 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -112.76 134.85 54.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 64.12 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -106.77 112.64 25.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 60.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.3 m -106.18 105.76 15.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.912 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.3 mt -110.7 89.7 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.938 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.04 -57.44 2.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 62.41 111.14 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.821 HG21 HG13 ' A' ' 92' ' ' VAL . 3.0 m -138.09 159.42 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 71.41 111.111 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.0 p -83.05 149.68 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.885 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.509 HG12 ' OD1' ' A' ' 43' ' ' ASN . 59.2 t -80.06 -36.81 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 63.34 111.109 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.509 ' OD1' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -178.16 154.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 74.2 110.879 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.48 -11.58 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.14 111.142 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.532 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 12.7 mtpt -51.56 -58.27 11.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 74.2 110.86 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.76 160.09 50.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 73.2 112.378 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.67 160.07 1.14 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 71.41 111.08 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.79 -30.65 21.8 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.663 2.242 . . . . 54.33 112.373 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -63.65 -25.6 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.878 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -111.05 16.99 20.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 53.31 110.891 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 25.0 ttm180 -72.11 152.04 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 73.24 110.859 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.751 ' HB3' HD11 ' A' ' 75' ' ' LEU . 34.6 mt-10 -135.76 154.0 51.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.12 110.878 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -129.21 148.21 51.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.24 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.549 ' HD1' HG23 ' A' ' 40' ' ' VAL . 80.9 m95 -80.98 155.44 26.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.91 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.02 -178.97 39.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 60.22 112.527 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -133.33 119.97 20.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 72.24 110.915 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -86.16 130.15 34.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 73.05 110.895 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -122.06 116.73 24.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 45.23 110.894 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -113.41 116.85 30.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.905 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -126.55 159.45 33.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 75.34 110.89 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -128.15 117.0 20.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 71.52 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.4 138.81 20.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 61.21 111.139 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.02 -177.9 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 45.41 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -49.89 -59.77 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.15 110.878 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.487 ' O ' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -135.46 8.48 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.903 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.585 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 56.4 mtm180 -122.11 178.07 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.835 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.722 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -146.5 131.59 18.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.846 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -108.46 164.19 12.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 73.35 111.151 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -157.5 143.52 17.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 73.53 110.957 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -149.29 127.5 12.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 75.31 110.902 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD1' HD11 ' A' ' 100' ' ' LEU . 9.1 p90 -111.49 139.58 46.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.933 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -135.69 145.01 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -91.9 156.6 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.887 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.68 -134.75 4.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 55.42 112.507 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 52' ' ' GLU . 16.9 tp -144.8 143.55 30.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.54 110.876 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.636 ' H ' HD12 ' A' ' 75' ' ' LEU . 15.2 t80 -103.68 96.45 6.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.15 110.854 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.89 170.47 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 70.33 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -20.53 42.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.17 -9.67 59.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 44.34 110.857 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.49 19.12 76.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 72.53 112.502 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -100.66 137.54 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 73.35 110.887 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 15.5 m0 -51.96 121.66 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 63.52 110.964 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.1 m -140.64 108.24 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 75.11 111.152 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 84' ' ' VAL . 16.6 m -97.45 120.13 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 73.24 111.146 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.542 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -127.76 158.02 71.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 70.45 111.174 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.22 50.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.708 2.272 . . . . 63.12 112.363 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -97.1 115.34 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 64.52 111.11 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -94.97 155.68 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.98 101.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 70.42 110.921 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -52.86 -27.95 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.107 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.05 -35.17 61.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 71.23 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.821 HG13 HG21 ' A' ' 40' ' ' VAL . 62.2 t -78.97 -45.91 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.23 111.168 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -33.08 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 51.33 111.109 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -69.91 -32.78 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 65.23 110.914 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -74.56 -35.09 63.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.898 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.511 HD23 HG12 ' A' ' 92' ' ' VAL . 4.4 mm? -70.81 -45.21 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 62.33 110.931 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.22 -38.66 92.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.9 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -65.93 -47.29 75.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.946 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 p -59.7 -24.88 64.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 71.34 111.178 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.605 HD11 ' CD1' ' A' ' 71' ' ' TYR . 1.6 tt -74.79 -40.72 60.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.949 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -71.06 -49.78 41.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.05 110.841 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -33.61 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 70.43 110.906 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.521 ' CE1' HD23 ' A' ' 107' ' ' LEU . 14.0 t80 -72.79 -34.21 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 64.32 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -41.4 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.869 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.57 -47.84 84.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 74.44 110.908 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -65.97 -31.93 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 60.53 110.954 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.743 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.7 -35.93 82.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 63.34 110.93 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.413 ' HG2' HD11 ' A' ' 112' ' ' ILE . 27.2 ttt180 -60.01 -41.91 93.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 54.44 110.88 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.407 ' HA ' HD12 ' A' ' 112' ' ' ILE . 34.0 t70 -56.19 -46.42 79.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 64.55 110.873 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.979 HD22 HD11 ' A' ' 19' ' ' LEU . 51.6 tp -58.71 -50.06 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.92 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.685 HD21 HD13 ' A' ' 118' ' ' LEU . 7.2 mp -63.84 -36.83 85.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.92 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.413 HD11 ' HG2' ' A' ' 108' ' ' ARG . 25.0 mt -61.74 -37.01 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 54.45 111.127 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -73.57 -23.24 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.861 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.2 mtm -96.06 -5.06 41.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.888 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 64.04 42.68 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 70.52 110.921 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 65' ' ' LYS . 3.5 mm? -109.73 138.14 46.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.933 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.585 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -83.76 139.46 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 72.12 111.115 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 67' ' ' PHE . 14.6 tp -129.76 121.1 26.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 63.52 110.891 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -147.56 159.8 40.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.721 . . . . 74.41 110.904 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 171.33 14.59 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.715 2.276 . . . . 64.33 112.361 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.3 m -110.58 125.19 53.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 53.45 110.883 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.25 -22.73 53.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.87 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -95.9 26.41 4.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.866 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -94.59 108.31 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.878 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -122.71 112.49 18.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.908 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -173.78 175.73 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 60.1 110.831 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -113.88 73.81 2.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 73.4 110.89 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.11 54.64 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 74.05 112.345 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 5.3 m -53.84 155.65 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 61.33 111.118 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -95.42 98.59 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.14 -31.05 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 65.01 110.908 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.0 t -89.67 64.73 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 64.12 110.903 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 72.44 111.105 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.863 0.363 . . . . 60.54 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.6 p -134.23 153.83 51.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 72.2 111.097 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 62' ' ' ALA . 9.0 mp -74.09 161.0 80.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.565 0.697 . . . . 65.14 110.918 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -26.26 27.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.229 . . . . 75.35 112.347 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.61 -19.64 55.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 72.53 110.871 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.36 8.07 27.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 64.24 112.482 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.487 ' HD2' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -90.8 153.07 45.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.613 0.72 . . . . 75.51 110.834 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' HD13 ' A' ' 12' ' ' LEU . 53.4 Cg_endo -69.78 124.29 10.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 73.22 112.339 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -70.66 -57.17 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 52.14 110.929 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.7 m -54.16 -45.94 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.88 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -62.03 -34.91 77.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 75.14 110.904 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.487 HD11 ' HD2' ' A' ' 7' ' ' HIS . 3.0 mp -73.22 -49.29 28.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.856 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.94 -41.56 77.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 63.34 111.124 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -67.91 -40.5 83.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.887 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB3' HD11 ' A' ' 110' ' ' LEU . 13.2 mtmm -68.0 -44.06 77.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 54.23 110.902 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 110' ' ' LEU . 18.1 m-85 -58.75 -26.6 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.834 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.1 m -63.13 -21.25 66.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 62.13 111.187 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -7.26 58.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 64.51 111.071 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.005 HD11 HD22 ' A' ' 110' ' ' LEU . 42.5 mt -103.74 4.32 35.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.907 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.24 -150.88 19.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.755 . . . . 72.23 112.476 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.4 18.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 60.21 112.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -61.38 132.53 53.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.947 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 23' ' ' ILE . 5.0 mp -79.34 143.86 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 74.25 111.123 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -82.31 93.96 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 71.42 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -51.88 -31.79 29.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.863 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.25 154.74 0.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 55.31 112.465 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -85.79 -49.07 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 72.01 110.928 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.17 160.11 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.872 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -90.99 88.0 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.888 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.8 151.93 31.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 43.42 110.873 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.12 41.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.918 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -138.03 156.91 47.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.866 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -112.76 122.23 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 64.15 110.926 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -93.39 149.18 21.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 65.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -148.73 116.35 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.865 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.08 111.99 24.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 70.32 110.876 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 p -107.06 129.47 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 61.21 110.882 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.401 HD22 ' HD2' ' A' ' 53' ' ' PHE . 15.7 mt -105.63 90.52 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.55 110.937 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.69 -70.51 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 72.35 111.113 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.689 HG21 HG13 ' A' ' 92' ' ' VAL . 2.4 m -126.36 157.63 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 73.5 111.12 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 t -89.79 135.89 33.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 61.41 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.781 HG12 ' CE2' ' A' ' 54' ' ' TRP . 17.3 m -56.27 -39.64 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 75.12 111.127 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -178.14 171.05 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.0 m -135.18 13.27 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.23 111.129 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -67.21 -58.37 9.13 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.612 0.72 . . . . 72.35 110.912 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.74 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 71.12 112.359 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -72.43 159.96 84.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 40.02 111.091 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.72 -23.87 30.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 72.03 112.347 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -63.57 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 63.45 110.873 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -113.61 17.14 18.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.14 110.872 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.11 144.26 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.85 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.638 ' HB3' HD11 ' A' ' 75' ' ' LEU . 21.7 mt-10 -136.99 166.76 22.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.89 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HD2' HD22 ' A' ' 38' ' ' LEU . 16.3 m-85 -136.22 146.25 46.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.904 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.781 ' CE2' HG12 ' A' ' 42' ' ' VAL . 79.1 m95 -80.81 155.63 26.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 73.53 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.631 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . 163.73 150.29 6.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.779 -0.724 . . . . 71.21 112.492 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.414 ' HD1' HD12 ' A' ' 96' ' ' LEU . 38.3 p-90 -114.92 129.58 56.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.301 . . . . 73.3 110.937 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -91.37 175.59 6.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 72.14 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.8 116.97 7.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.867 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.75 112.35 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.889 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.527 HD12 ' HE1' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -134.94 160.06 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.968 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -137.03 126.8 25.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 51.22 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.548 ' HB3' HD23 ' A' ' 3' ' ' LEU . . . -49.5 118.93 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.09 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.28 175.54 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.22 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -64.29 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 64.42 110.927 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 36.34 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 72.15 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.867 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 8.0 ptp180 -168.66 -179.38 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.33 110.879 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.527 ' HE1' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -136.87 145.12 44.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.89 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.4 t -126.69 164.38 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.02 111.114 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -151.88 143.67 23.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.941 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -126.93 160.67 30.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -110.71 121.43 45.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.942 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -135.41 119.04 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 42.41 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -91.59 164.15 13.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.919 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.45 -164.64 35.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 64.42 112.473 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 52' ' ' GLU . 21.6 tp -123.26 143.49 50.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 63.35 110.94 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.6 ' H ' HD12 ' A' ' 75' ' ' LEU . 56.1 t80 -109.43 101.16 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.894 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -79.82 171.45 15.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 75.52 110.846 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -58.36 -29.16 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 65.11 110.887 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -88.67 -9.72 51.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.04 110.861 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.58 18.58 78.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 72.45 112.481 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.94 121.39 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 74.4 110.904 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -60.03 121.64 12.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.943 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.0 m -145.71 114.25 6.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 75.14 111.184 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.8 m -70.46 118.91 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 65.2 111.097 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.438 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.8 OUTLIER -133.28 158.17 76.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 64.12 111.163 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 146.52 60.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 74.44 112.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.91 146.49 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.23 111.161 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.408 ' HB2' HG21 ' A' ' 92' ' ' VAL . 3.2 m120 -57.35 -176.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 65.41 110.878 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 169.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 64.42 110.847 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -53.3 -27.43 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 71.34 111.161 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.401 ' HG3' HG23 ' A' ' 92' ' ' VAL . 10.5 pt-20 -53.39 -42.25 66.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.33 110.901 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.689 HG13 HG21 ' A' ' 40' ' ' VAL . 98.8 t -79.72 -48.75 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.34 -33.29 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 53.33 111.118 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.29 -36.6 84.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 53.4 110.908 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 99' ' ' THR . 17.1 tpp180 -62.88 -46.31 88.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 61.31 110.884 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.631 HD11 ' HA2' ' A' ' 55' ' ' GLY . 4.4 mm? -70.79 -37.28 73.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.919 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.48 -41.62 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.8 -37.94 89.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 70.25 110.947 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 95' ' ' ARG . 20.1 p -73.06 -28.4 62.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 74.15 111.091 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 101' ' ' ARG . 3.0 tt -60.25 -48.32 82.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.976 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.446 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.3 tpt85 -69.24 -34.88 75.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.916 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -71.87 -29.34 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 54.22 110.872 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -45.72 88.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.924 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -69.83 -32.28 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 64.53 110.883 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.93 -47.73 67.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.862 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -67.1 -33.18 74.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.852 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.526 HD12 HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -71.42 -33.98 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 41.32 110.916 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.462 ' HE ' HD11 ' A' ' 112' ' ' ILE . 10.3 mmm-85 -52.1 -42.82 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.856 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.63 -37.89 88.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.838 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.005 HD22 HD11 ' A' ' 19' ' ' LEU . 5.1 tp -69.16 -51.01 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.932 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.579 HD12 HD11 ' A' ' 118' ' ' LEU . 46.5 mt -63.42 -39.14 93.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 72.24 110.904 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.462 HD11 ' HE ' ' A' ' 108' ' ' ARG . 26.6 mt -64.95 -31.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.191 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.2 t -73.46 -24.26 60.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 64.13 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.557 ' HB3' HD23 ' A' ' 116' ' ' LEU . 12.4 mtm -92.14 -3.25 55.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.906 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 64.33 45.81 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.878 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 114' ' ' MET . 3.9 mm? -105.78 173.07 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 55.01 110.916 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.867 ' HB3' ' HB2' ' A' ' 66' ' ' ARG . . . -94.64 152.37 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.05 111.109 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.579 HD11 HD12 ' A' ' 111' ' ' LEU . 3.4 mm? -123.4 112.49 17.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.903 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.453 ' OE2' ' HB1' ' A' ' 117' ' ' ALA . 4.3 mp0 -126.82 157.04 72.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 73.35 110.929 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 170.73 15.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 74.54 112.364 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.1 m -76.19 142.08 41.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 60.23 110.871 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.01 -25.9 46.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 70.14 110.882 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -95.84 25.81 4.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.909 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -111.69 109.09 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -117.67 -66.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.878 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -158.26 177.35 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 74.51 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 57.71 68.47 1.92 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.659 0.742 . . . . 74.44 110.908 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 158.62 56.31 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.231 . . . . 73.51 112.362 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.21 123.97 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.142 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 133' ' ' ALA . 4.3 mptt -64.34 98.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.35 110.893 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.23 -36.6 78.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.899 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.6 m -100.57 64.82 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.898 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 130' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 72.14 111.111 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.348 . . . . 73.23 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.8 p -75.7 160.02 30.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 71.11 111.173 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.72 HD11 ' HG ' ' A' ' 12' ' ' LEU . 12.2 mt -63.83 154.13 81.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 70.24 110.911 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -17.08 37.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 71.3 112.326 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -17.97 50.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 53.23 110.816 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.91 28.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 71.1 112.499 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.84 149.22 36.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 72.32 110.849 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.642 ' O ' HD23 ' A' ' 12' ' ' LEU . 54.7 Cg_endo -69.73 127.23 14.32 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 74.14 112.358 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -32.99 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.935 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 p -68.27 -47.13 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.895 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -62.39 -41.31 98.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 73.25 110.866 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.741 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.4 mm? -60.06 -49.32 78.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.9 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.05 -48.36 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 73.25 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -35.05 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 70.32 110.888 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.764 ' HB3' HD11 ' A' ' 110' ' ' LEU . 6.2 mttp -72.97 -50.63 22.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 65.32 110.861 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.741 ' CE2' HD12 ' A' ' 12' ' ' LEU . 16.3 m-85 -59.0 -29.84 67.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 73.44 110.846 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.9 m -59.56 -21.89 60.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 73.32 111.154 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.19 -7.82 59.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.52 111.101 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.718 HD11 HD22 ' A' ' 110' ' ' LEU . 39.0 mt -104.74 4.28 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.91 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.56 -151.31 19.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 55.51 112.491 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.6 21.1 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 63.32 112.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.06 123.67 18.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.923 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.4 mp -72.03 138.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 74.23 111.158 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -83.26 102.43 11.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 75.22 110.892 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.47 114.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.35 110.86 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.84 175.33 0.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 75.45 112.502 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -57.56 -179.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 74.32 110.934 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 t -51.88 -45.94 64.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -95.48 64.61 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.897 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.49 144.96 35.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 24.33 110.924 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -127.86 -55.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 65.13 110.908 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -113.33 157.91 21.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.55 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -93.71 153.32 18.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.882 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -143.76 119.22 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.845 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.69 142.6 45.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 72.11 110.901 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -106.71 112.83 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.22 110.872 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 t -106.35 128.4 53.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 73.35 110.93 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.434 HD22 ' HD2' ' A' ' 53' ' ' PHE . 41.5 mt -110.56 108.37 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 44.23 110.934 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.88 -69.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 70.23 111.063 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.37 143.97 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 74.03 111.136 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 p -74.8 155.81 37.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 65.52 110.867 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG22 ' CE2' ' A' ' 54' ' ' TRP . 43.8 t -80.68 -51.54 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.117 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -152.14 168.64 24.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 71.33 110.89 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 44' ' ' VAL . 10.5 p -120.26 -8.81 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.114 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 mtpp -51.51 -58.31 11.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.597 0.713 . . . . 53.31 110.914 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.0 Cg_endo -69.78 160.15 50.76 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.23 . . . . 72.25 112.371 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.62 160.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 40.42 111.082 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.77 -36.48 10.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 74.2 112.384 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.13 -25.31 68.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.33 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -110.86 17.0 20.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 75.3 110.883 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 14.1 ttp180 -80.73 120.47 24.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.868 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -91.21 142.61 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.863 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.434 ' HD2' HD22 ' A' ' 38' ' ' LEU . 6.8 m-85 -118.33 154.87 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 63.44 110.899 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.695 ' CE2' HG22 ' A' ' 42' ' ' VAL . 23.1 m95 -81.48 135.97 35.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.904 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.33 167.46 40.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.752 -0.737 . . . . 44.4 112.529 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -133.07 128.46 36.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.744 0.307 . . . . 74.21 110.973 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 41.1 p90 -91.99 167.42 12.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 74.51 110.916 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ttp -134.05 116.71 15.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 42.45 110.894 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -113.26 113.4 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 64.33 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.4 pp -134.5 159.47 41.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 71.03 110.91 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -127.41 111.39 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.905 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.35 141.18 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 75.1 111.07 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -108.08 -179.48 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.915 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.07 -64.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.855 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.56 41.57 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 64.31 110.887 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.635 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 58.1 mtt180 -158.24 179.72 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.841 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.97 132.88 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.859 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.7 t -111.01 163.99 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.107 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -154.83 143.31 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 72.3 110.936 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -121.2 139.44 53.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 73.43 110.849 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.481 ' HD2' HD21 ' A' ' 100' ' ' LEU . 2.1 m-85 -114.87 103.91 11.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 64.54 110.939 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -135.99 146.79 47.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 73.53 110.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' HD13 ' A' ' 100' ' ' LEU . 28.3 m-85 -94.01 160.72 14.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 61.21 110.911 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.98 -160.16 24.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 75.51 112.525 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.738 HD13 HG21 ' A' ' 85' ' ' VAL . 2.6 tt -132.91 145.81 51.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 72.31 110.925 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -108.09 104.94 14.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.886 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.1 179.25 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 71.42 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -76.3 -29.1 57.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.918 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -81.63 -9.76 59.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 70.44 110.88 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.05 19.8 75.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.675 -0.774 . . . . 71.33 112.485 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -89.51 146.59 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 71.54 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -69.41 122.01 18.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.911 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 m -141.68 125.63 17.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.01 111.123 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.8 m -89.66 122.77 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 72.41 111.076 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.738 HG21 HD13 ' A' ' 75' ' ' LEU . 2.2 m -142.83 156.9 62.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 74.55 111.157 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.7 69.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 65.5 112.374 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.5 HG21 HG23 ' A' ' 93' ' ' VAL . 43.0 mm -96.96 145.47 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 63.23 111.107 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -57.87 -175.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.85 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.48 167.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -53.15 -27.6 21.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 73.02 111.119 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.415 ' HG3' HG23 ' A' ' 92' ' ' VAL . 9.7 pt-20 -53.56 -42.14 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.831 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.415 HG23 ' HG3' ' A' ' 91' ' ' GLU . 97.7 t -79.6 -48.77 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.32 111.126 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.5 HG23 HG21 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -51.49 -33.14 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 71.2 111.108 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.91 -37.41 87.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 99' ' ' THR . 25.2 tpt180 -66.72 -46.7 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.908 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.88 -34.87 72.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 71.3 110.882 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.68 -48.76 80.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.17 -50.94 71.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.902 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 95' ' ' ARG . 52.5 p -60.26 -30.25 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 61.32 111.157 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.578 HD13 ' CE1' ' A' ' 73' ' ' PHE . 3.7 tt -73.72 -45.1 54.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 70.45 110.907 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.457 ' HD2' HD12 ' A' ' 131' ' ' LEU . 11.4 ttt180 -69.47 -49.48 54.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.875 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.35 -29.22 65.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 63.34 110.849 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.696 ' CE1' HD23 ' A' ' 107' ' ' LEU . 33.2 t80 -63.81 -35.09 79.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 63.22 110.858 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -63.38 -32.82 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.833 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -47.53 51.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.04 110.887 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -32.5 74.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.878 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.696 HD23 ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -66.14 -38.68 88.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.899 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.4 ' HG2' HD11 ' A' ' 112' ' ' ILE . 21.7 ttt180 -55.78 -47.89 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.844 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.645 ' HA ' HD12 ' A' ' 112' ' ' ILE . 17.4 t70 -57.04 -44.75 83.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.872 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.764 HD11 ' HB3' ' A' ' 15' ' ' LYS . 9.6 tp -58.99 -52.01 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 53.12 110.907 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.97 -33.03 72.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.885 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 109' ' ' ASP . 26.0 mt -62.1 -32.82 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 63.0 111.132 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -30.92 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 41.2 110.86 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.702 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -97.02 -2.31 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.858 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 63.19 46.89 4.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.873 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.702 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.8 mm? -103.37 153.92 19.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.888 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.635 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -94.04 159.61 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.124 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.6 mt -117.55 132.69 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.882 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -156.24 157.53 31.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.632 0.729 . . . . 75.23 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.82 18.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 73.42 112.368 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 t -110.77 -177.77 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 70.11 110.83 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -80.21 -22.94 41.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.27 -9.33 58.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 60.21 110.851 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -91.06 107.59 19.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 73.15 110.895 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -94.21 -74.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 53.2 110.875 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -175.06 179.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 61.21 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 60.95 68.33 1.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 51.03 110.886 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 158.95 55.15 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.719 2.279 . . . . 74.45 112.316 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 131' ' ' LEU . 7.3 p -54.01 139.67 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 61.43 111.143 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -67.05 97.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 63.21 110.907 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 129' ' ' VAL . 4.1 mm? -73.3 -34.99 66.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 71.52 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.3 t -102.98 46.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 62.33 110.869 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 70.24 111.065 179.878 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.852 0.358 . . . . 72.41 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.0 p -76.39 159.71 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.139 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.663 HD11 HD22 ' A' ' 12' ' ' LEU . 13.5 mt -63.95 154.18 82.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.55 0.69 . . . . 63.55 110.968 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -17.11 37.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 75.45 112.336 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -20.36 56.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 70.1 110.903 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.14 2.04 31.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 52.05 112.475 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.415 ' HD2' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -95.12 140.31 22.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 75.12 110.837 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 124.94 11.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 72.44 112.382 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -69.66 -33.39 72.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.25 110.889 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -66.3 -33.71 76.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.843 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -77.91 -34.0 51.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 54.35 110.868 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.663 HD22 HD11 ' A' ' 3' ' ' LEU . 4.7 mp -73.69 -48.99 28.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.899 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.3 mm -54.94 -43.19 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.1 111.107 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -67.89 -34.33 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 72.21 110.899 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HB3' HD11 ' A' ' 110' ' ' LEU . 4.1 mtpp -71.33 -49.46 42.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.907 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE1' HD21 ' A' ' 110' ' ' LEU . 45.4 m-85 -58.62 -26.74 64.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.883 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.0 m -61.37 -21.66 64.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 72.1 111.129 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.26 -7.33 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.101 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.848 HD11 HD22 ' A' ' 110' ' ' LEU . 41.5 mt -103.54 4.02 35.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.2 110.939 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.03 -150.62 18.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.728 . . . . 73.25 112.494 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.1 19.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 73.12 112.352 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -61.63 129.6 41.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 71.2 110.929 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -76.56 139.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 54.14 111.161 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -83.75 113.08 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.881 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -52.08 -53.2 45.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 60.35 110.847 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.94 -137.83 13.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 70.43 112.484 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -167.72 -176.17 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 73.31 110.927 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t 62.06 30.4 17.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 34.51 110.921 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 39.45 41.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 70.45 110.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -52.27 157.67 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 53.21 110.861 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -111.16 26.54 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.925 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -135.18 161.09 36.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -110.87 135.59 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 75.42 110.904 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' ILE . 6.9 t80 -93.37 147.38 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -147.97 138.83 23.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 74.5 110.878 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -106.85 113.46 26.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 70.3 110.924 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.1 m -105.32 102.87 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 72.45 110.901 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -104.75 90.42 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 71.3 110.927 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.31 -71.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 63.3 111.058 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.39 145.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.24 111.103 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.6 p -79.53 133.32 36.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.866 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.751 HG12 ' CE2' ' A' ' 54' ' ' TRP . 18.6 m -58.45 -39.39 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.24 111.093 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -179.72 -177.1 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.859 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.42 22.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 74.04 111.131 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 16.8 mttm -66.88 -58.42 9.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 73.53 110.959 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.0 Cg_endo -69.77 179.25 3.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 43.33 112.341 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -65.9 159.58 68.73 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.557 0.694 . . . . 55.1 111.111 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.78 -23.68 30.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 74.44 112.331 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.86 -25.91 59.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 5.7 ptpp? -105.91 17.71 23.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.933 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.47 159.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 64.51 110.887 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CD ' HD21 ' A' ' 75' ' ' LEU . 27.2 mt-10 -136.11 156.68 48.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 65.25 110.834 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -144.17 146.7 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.833 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.751 ' CE2' HG12 ' A' ' 42' ' ' VAL . 93.6 m95 -81.13 138.6 35.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 72.45 110.889 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.525 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . -166.21 166.29 38.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 70.31 112.461 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -116.1 125.44 52.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 75.23 110.946 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -74.29 151.87 39.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 74.12 110.946 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.4 ttp -140.81 112.88 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -113.42 113.7 25.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 61.14 110.877 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.626 HD13 ' CE2' ' A' ' 67' ' ' PHE . 3.4 pp -119.22 156.6 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 44.44 110.892 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -131.24 111.58 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 55.22 110.878 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.89 126.37 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 54.42 111.093 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -178.26 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -52.96 -50.16 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.883 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.15 25.76 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.679 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 28.2 mtp180 -144.46 177.48 8.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.24 110.895 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.626 ' CE2' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -137.6 133.27 34.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 75.12 110.869 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.1 t -138.36 138.84 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 73.51 111.092 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -126.14 171.92 10.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.941 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -129.51 160.75 32.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 61.21 110.866 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -107.54 120.53 42.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.939 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -135.88 145.16 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 72.11 110.904 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.22 155.34 29.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.99 -152.38 19.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.723 -0.751 . . . . 64.34 112.48 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.616 HD12 ' H ' ' A' ' 76' ' ' PHE . 15.7 tp -140.67 143.61 35.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 65.2 110.939 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.616 ' H ' HD12 ' A' ' 75' ' ' LEU . 30.1 t80 -104.72 113.25 26.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 64.42 110.869 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -97.39 170.11 9.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.62 -16.65 62.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.916 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.17 -9.8 59.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.9 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.54 16.65 71.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 30.51 112.484 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -103.13 121.45 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 70.34 110.886 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -55.74 124.8 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 75.2 110.914 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.7 m -137.87 111.81 8.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.35 111.183 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.1 m -77.58 131.03 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 64.41 111.133 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.565 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.6 OUTLIER -148.21 157.88 42.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 75.22 111.157 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 152.3 69.24 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.699 2.266 . . . . 64.52 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.472 HG21 HG23 ' A' ' 93' ' ' VAL . 43.9 mm -96.12 115.22 34.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 71.32 111.117 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -91.13 150.34 21.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 64.13 103.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.05 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -54.26 -27.87 37.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 65.55 111.171 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -53.58 -35.43 60.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 73.22 110.922 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.48 -45.76 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 73.43 111.135 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.472 HG23 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -52.61 -33.18 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 64.1 111.124 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.32 -36.42 83.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 62.21 110.9 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -72.1 -34.77 68.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.525 HD11 ' HA2' ' A' ' 55' ' ' GLY . 3.9 mm? -68.27 -36.16 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.902 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.622 ' HA ' HD23 ' A' ' 100' ' ' LEU . 92.5 mt-10 -69.45 -38.9 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 53.43 110.91 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -71.53 -36.48 71.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 71.55 110.887 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 p -65.31 -46.37 80.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.31 111.171 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -62.24 -34.04 75.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 64.4 110.919 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -69.31 -45.13 70.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.841 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.59 -29.12 63.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.913 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -58.15 -35.22 71.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.828 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -70.11 -32.44 70.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.827 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.25 -48.98 78.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 64.33 110.83 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HG3' HD22 ' A' ' 19' ' ' LEU . 12.8 ptmt -74.05 -32.54 63.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.9 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -59.2 -35.51 73.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 54.55 110.931 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -59.58 -49.02 79.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.15 110.836 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -56.32 -45.83 80.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 53.01 110.899 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.848 HD22 HD11 ' A' ' 19' ' ' LEU . 4.8 tp -58.59 -51.61 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 71.5 110.909 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 118' ' ' LEU . 4.6 mp -62.52 -32.26 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.941 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.0 mt -68.01 -29.89 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.23 111.157 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.7 t -73.24 -24.63 60.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 61.31 110.873 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.1 ptp -104.61 -1.06 26.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 75.32 110.856 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 63.09 34.71 13.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.871 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.34 114.79 29.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 65.04 110.922 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.679 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -60.7 159.42 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 64.44 111.165 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.442 ' HB2' HD23 ' A' ' 111' ' ' LEU . 49.0 tp -124.95 135.48 52.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 74.03 110.911 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -145.5 160.16 45.8 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.614 0.721 . . . . 73.14 110.896 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 170.99 15.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 75.43 112.284 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.79 151.82 23.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.877 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.63 -24.63 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.87 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -95.89 26.39 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 60.53 110.848 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -91.06 110.81 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 71.13 110.861 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -81.45 -173.94 4.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.899 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -98.69 37.5 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.867 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -132.98 69.61 78.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 72.22 110.861 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 156.83 62.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.721 2.28 . . . . 74.32 112.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.585 HG11 ' HG2' ' A' ' 97' ' ' GLU . 85.3 t -60.26 134.51 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.43 111.162 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -83.96 98.02 9.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 61.42 110.941 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.98 -31.21 72.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 74.43 110.937 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 m -95.69 52.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 55.41 110.813 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 65.41 111.112 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.873 0.368 . . . . 74.23 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -75.77 160.67 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 72.11 111.17 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.21 153.9 79.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 70.21 110.913 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -17.35 37.46 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 73.24 112.321 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -20.46 55.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.86 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.17 0.27 31.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 72.42 112.523 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 139.74 22.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.607 0.718 . . . . 62.15 110.863 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 124.63 11.27 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.636 2.224 . . . . 64.01 112.383 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -42.5 71.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 53.44 110.881 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 p -61.47 -31.05 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 62.52 110.84 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -77.72 -43.66 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.874 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mp -68.17 -48.65 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.12 110.905 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.8 mm -54.84 -45.83 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 64.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -68.15 -34.13 75.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 72.43 110.882 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.688 ' HB3' HD11 ' A' ' 110' ' ' LEU . 22.5 mtmm -68.99 -47.64 65.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.925 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.464 ' CE1' HD21 ' A' ' 110' ' ' LEU . 30.4 m-85 -58.86 -30.55 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 74.42 110.912 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 m -61.01 -21.46 63.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 74.12 111.149 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.61 -8.92 59.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.096 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.042 HD11 HD22 ' A' ' 110' ' ' LEU . 13.9 mt -104.91 4.14 31.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.959 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.62 -148.55 14.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 52.13 112.461 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.33 24.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.252 . . . . 71.11 112.363 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -62.82 146.46 52.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.919 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 34' ' ' PHE . 5.1 mp -97.19 144.73 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 51.32 111.104 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 -77.74 93.84 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 72.34 110.873 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.9 160.59 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 62.44 110.857 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.13 175.9 36.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 72.35 112.466 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -118.98 122.16 41.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 61.43 110.852 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.4 m 55.77 27.1 10.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -101.06 -38.51 8.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 71.13 110.891 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -169.62 161.42 9.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 64.24 110.89 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.73 28.48 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.923 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -122.01 160.86 24.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 74.24 110.831 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -103.52 123.24 46.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 23' ' ' ILE . 6.7 t80 -93.28 149.36 21.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 71.13 110.904 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -150.89 139.01 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 71.11 110.878 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -107.01 113.05 26.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 75.43 110.825 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.6 m -101.74 98.6 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 43.22 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.4 mt -111.07 107.01 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.15 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.15 -63.18 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.42 111.104 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.653 HG21 HG13 ' A' ' 92' ' ' VAL . 2.7 m -134.9 154.57 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 54.44 111.105 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -90.83 144.94 25.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.893 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 52' ' ' GLU . 6.2 p -81.26 -31.08 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.185 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -177.54 149.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 74.41 110.892 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.561 HG23 ' CZ ' ' A' ' 51' ' ' ARG . 9.5 p -127.81 1.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 61.42 111.147 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 3.0 mptt -51.33 -58.21 11.44 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.575 0.703 . . . . 74.32 110.901 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.1 Cg_endo -69.8 168.74 20.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 73.24 112.344 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.53 160.04 1.09 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.699 . . . . 72.22 111.121 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.76 -23.94 30.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 74.01 112.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -63.53 -25.49 68.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.896 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -112.05 17.17 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.561 ' CZ ' HG23 ' A' ' 44' ' ' VAL . 3.7 tpp85 -68.27 145.0 54.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 72.24 110.87 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.719 ' O ' HG12 ' A' ' 42' ' ' VAL . 74.1 mt-10 -137.04 145.43 44.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.863 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -129.65 152.52 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.901 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.553 ' HD1' HG23 ' A' ' 40' ' ' VAL . 52.2 m95 -80.97 150.4 28.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.905 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.89 172.16 43.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 75.31 112.494 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -125.41 110.08 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 72.13 110.89 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -52.2 146.68 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.931 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.663 ' SD ' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -127.7 111.58 13.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 65.03 110.867 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.3 112.83 23.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 64.23 110.877 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.663 HD22 ' SD ' ' A' ' 58' ' ' MET . 2.5 pt? -135.09 158.66 43.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.931 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -138.02 110.98 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.928 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.96 113.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 71.21 111.123 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -77.4 178.11 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.913 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -49.67 -49.22 48.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 63.02 110.847 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.21 15.93 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.882 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -134.78 169.28 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 43.45 110.885 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -129.36 149.82 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 70.34 110.916 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -125.23 161.54 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.41 111.107 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -152.56 145.06 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.934 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 160.73 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.03 110.904 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -114.16 120.28 39.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 75.51 110.874 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -135.72 127.42 29.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.912 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -96.71 162.18 13.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.855 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 163.08 -148.52 15.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 73.23 112.49 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.953 HD13 HG21 ' A' ' 85' ' ' VAL . 2.0 tp -127.53 145.67 50.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 72.33 110.889 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -118.63 111.17 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.879 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.35 -175.6 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.837 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -76.84 -29.64 55.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 62.42 110.907 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -4.51 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.907 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.77 26.06 11.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 72.41 112.452 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -69.68 130.06 41.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 74.31 110.878 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -75.36 121.32 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 53.4 110.905 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.0 m -146.18 129.78 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.23 111.136 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.5 m -97.91 116.63 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 64.02 111.123 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.953 HG21 HD13 ' A' ' 75' ' ' LEU . 2.3 m -140.83 156.59 68.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.626 0.727 . . . . 70.45 111.107 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 156.36 63.59 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.743 2.295 . . . . 74.23 112.325 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.62 145.04 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 54.11 111.104 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.475 ' HB2' HG21 ' A' ' 92' ' ' VAL . 5.2 m-20 -57.77 -177.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 74.35 110.841 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -50.96 169.18 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 61.43 110.895 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 t -52.62 -27.54 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.5 111.148 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.404 ' HG3' HG23 ' A' ' 92' ' ' VAL . 9.5 pt-20 -53.49 -41.92 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.882 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.653 HG13 HG21 ' A' ' 40' ' ' VAL . 99.6 t -79.32 -48.79 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 65.13 111.129 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.22 -33.18 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.41 111.116 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.11 -36.55 83.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.872 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.684 ' O ' HG23 ' A' ' 99' ' ' THR . 17.5 tpp180 -64.62 -42.9 95.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.875 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.83 -35.19 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 73.51 110.91 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.13 -43.35 98.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -71.32 -36.26 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 70.42 110.922 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 95' ' ' ARG . 76.1 p -67.35 -46.32 73.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 73.15 111.129 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.7 pp -72.37 -35.41 68.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 51.45 110.874 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -68.17 -43.2 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.845 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -72.8 -28.38 62.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -57.53 -41.74 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.922 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -70.39 -32.55 70.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 64.25 110.926 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.92 -48.58 80.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.895 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HG3' HD22 ' A' ' 19' ' ' LEU . 11.5 ptmt -73.8 -32.11 63.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 63.31 110.905 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.744 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -61.62 -35.74 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 71.44 110.908 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -49.16 71.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.938 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.493 ' HA ' HD12 ' A' ' 112' ' ' ILE . 13.9 t0 -56.55 -46.64 80.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.836 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.042 HD22 HD11 ' A' ' 19' ' ' LEU . 7.2 tp -58.55 -51.28 70.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.909 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.881 HD22 HD12 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -61.79 -31.74 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.901 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.6 mt -67.59 -29.98 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 60.41 111.155 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -73.79 -24.94 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 72.35 110.838 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.634 ' HB2' HD23 ' A' ' 116' ' ' LEU . 9.8 ptp -104.77 -2.3 25.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 75.14 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.96 36.53 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 72.05 110.929 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.3 mm? -102.3 115.18 30.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.903 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.32 153.35 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.21 111.074 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.881 HD12 HD22 ' A' ' 111' ' ' LEU . 5.4 tt -129.91 113.69 14.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.948 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -156.22 160.17 30.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 62.22 110.911 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.56 14.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 53.42 112.364 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.3 m -82.28 127.2 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.847 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -14.47 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 74.45 110.864 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -111.39 26.06 11.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 61.33 110.897 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -137.21 142.64 42.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.898 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -179.16 114.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -131.04 -75.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 71.45 110.874 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -175.52 74.48 0.29 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.751 . . . . 64.43 110.9 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.6 38.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 74.53 112.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 29.0 m -54.58 135.42 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 64.15 111.137 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -96.49 97.72 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.858 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.57 -26.91 68.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.934 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.4 t -83.83 58.29 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.05 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 60.25 111.105 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 75.23 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -136.84 159.5 41.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 73.31 111.145 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 9' ' ' LYS . 5.7 mt -74.94 154.43 86.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 75.43 110.891 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -17.21 37.41 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.655 2.237 . . . . 74.44 112.317 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.81 -16.49 58.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 72.04 110.889 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.34 -13.32 33.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 61.03 112.473 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.37 152.75 73.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 72.23 110.804 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.633 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.75 124.48 11.13 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 63.34 112.331 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HA ' HD21 ' A' ' 3' ' ' LEU . 26.7 ttpt -69.87 -50.53 41.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.918 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.79 -42.4 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 63.34 110.84 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.11 -45.52 93.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 74.55 110.9 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.782 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.2 mm? -58.53 -49.12 78.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.913 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.452 HG23 ' HB ' ' A' ' 23' ' ' ILE . 35.2 mm -60.17 -46.13 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 70.14 111.115 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -61.68 -41.45 97.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.867 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.734 ' HB3' HD11 ' A' ' 110' ' ' LEU . 40.7 mtmt -67.73 -49.85 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 74.04 110.871 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.782 ' CE2' HD12 ' A' ' 12' ' ' LEU . 17.1 m-85 -58.9 -24.63 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 64.3 110.876 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.5 m -66.65 -21.68 66.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 61.44 111.096 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.16 -6.85 57.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 64.2 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.048 HD11 HD22 ' A' ' 110' ' ' LEU . 57.6 mt -102.64 4.11 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 54.34 110.883 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.65 -149.72 16.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 72.14 112.5 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.93 20.19 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 73.24 112.313 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -61.8 134.5 56.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.946 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -79.15 143.2 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 63.33 111.146 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -77.77 96.97 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -52.02 151.63 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.908 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.78 159.71 34.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.727 . . . . 73.31 112.46 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.14 -62.23 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 71.14 110.936 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 p -151.6 155.96 39.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 75.35 110.853 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 39.44 41.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 64.24 110.839 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -109.97 96.74 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.881 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -99.92 27.04 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.32 110.859 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.84 160.41 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 62.34 110.881 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -112.19 129.33 56.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.863 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.427 ' O ' HG23 ' A' ' 23' ' ' ILE . 4.8 t80 -93.25 148.51 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 71.04 110.913 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -150.87 117.97 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 64.35 110.894 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -106.89 112.48 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.861 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.82 89.02 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.43 110.886 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.31 90.42 2.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.899 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 40' ' ' VAL . . . -80.02 -54.17 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.113 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.67 HG21 HG13 ' A' ' 92' ' ' VAL . 1.6 m -155.73 139.47 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.03 111.104 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.7 p -68.11 128.93 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.856 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.35 -34.27 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 53.42 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -176.16 146.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.865 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -125.05 24.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.134 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -66.31 -58.23 10.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 63.14 110.865 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.6 Cg_endo -69.81 178.19 4.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 74.45 112.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -58.43 159.86 11.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 63.04 111.09 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.73 -25.48 28.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.64 2.227 . . . . 73.44 112.366 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -63.67 -20.38 65.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 72.32 110.9 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -118.14 17.27 14.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.0 ptt-85 -69.22 143.91 53.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 51.15 110.874 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.754 ' HB3' HD11 ' A' ' 75' ' ' LEU . 7.7 mt-10 -125.91 166.89 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.886 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.415 ' O ' HD12 ' A' ' 75' ' ' LEU . 38.5 m-85 -140.09 151.76 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 65.52 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.605 ' HD1' HG23 ' A' ' 40' ' ' VAL . 15.4 m95 -80.95 159.6 24.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.908 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.2 174.19 27.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.73 . . . . 71.21 112.468 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -118.94 149.66 41.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.744 0.307 . . . . 73.12 110.918 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -89.44 133.34 34.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.41 110.886 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.736 ' CE ' HD22 ' A' ' 60' ' ' LEU . 11.9 ttt -115.32 112.32 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.11 110.894 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.93 113.41 24.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 72.42 110.869 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.736 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -130.26 154.18 47.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 64.2 110.952 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -137.64 110.99 7.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.863 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.91 113.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 70.11 111.129 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.59 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -80.84 -174.58 4.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.9 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.59 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 2.0 mt-10 -51.53 -54.62 25.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 63.3 110.924 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.5 41.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.52 110.906 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.769 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 38.2 mtt85 -157.95 179.86 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.861 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 1.8 m-85 -143.57 144.51 31.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 53.34 110.853 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.7 t -141.43 140.14 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 62.41 111.1 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -129.74 172.65 11.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 73.04 110.921 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -144.78 159.82 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.89 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -116.74 121.34 41.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.917 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -135.76 132.52 36.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 74.11 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -97.07 157.39 15.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 63.32 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.95 -175.42 33.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 75.24 112.45 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 52' ' ' GLU . 17.4 tp -107.6 143.39 36.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 73.03 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.639 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.2 t80 -110.07 102.27 11.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.918 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -78.59 170.1 17.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -26.3 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.872 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.22 -9.82 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.58 15.73 71.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 52.15 112.466 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -85.62 126.36 33.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 71.43 110.879 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -52.47 121.79 7.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.927 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -145.44 106.68 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.145 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 84' ' ' VAL . 18.6 m -84.3 121.95 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 73.13 111.099 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.8 m -131.21 153.36 81.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 72.34 111.155 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 142.33 47.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 62.45 112.391 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.1 mm -93.34 115.59 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 42.25 111.087 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -96.48 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 53.51 110.893 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 63.19 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 52.25 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -54.33 -27.94 39.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 61.25 111.18 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -53.71 -35.1 60.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.856 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.67 HG13 HG21 ' A' ' 40' ' ' VAL . 75.9 t -78.67 -45.65 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 72.43 111.103 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -33.22 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 64.43 111.125 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.0 -36.83 85.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.878 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -69.53 -33.53 72.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 61.32 110.901 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.63 -34.87 72.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 64.13 110.959 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.02 77.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 71.33 110.914 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -71.6 -36.18 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 65.21 110.908 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -46.66 76.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 54.11 111.15 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.2 pp -70.49 -34.71 72.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 64.33 110.899 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -66.7 -49.23 66.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.882 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.12 -28.65 62.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.916 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.63 -39.7 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 74.11 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -69.2 -32.6 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.51 110.897 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.57 -47.55 78.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 64.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.422 ' NZ ' HD23 ' A' ' 107' ' ' LEU . 12.9 pttp -69.41 -32.86 72.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 71.14 110.875 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.74 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.46 -35.63 81.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 74.3 110.913 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -43.4 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.853 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -64.99 -44.18 90.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.048 HD22 HD11 ' A' ' 19' ' ' LEU . 9.8 tp -58.27 -51.12 71.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.12 110.95 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.67 HD11 HD13 ' A' ' 118' ' ' LEU . 72.7 mt -61.74 -32.28 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 70.43 110.909 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 36.7 mt -70.05 -29.9 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.44 111.126 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.4 t -72.04 -26.08 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 71.52 110.847 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.495 ' HB2' HD23 ' A' ' 116' ' ' LEU . 10.9 ptp -101.99 -1.1 32.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 74.1 110.838 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 64.49 34.51 10.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 71.04 110.909 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.2 mm? -102.36 132.59 48.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 62.42 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.769 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -74.91 158.3 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 52.55 111.109 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.67 HD13 HD11 ' A' ' 111' ' ' LEU . 19.5 tp -129.63 137.75 50.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 75.14 110.931 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -155.72 160.41 30.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 71.1 110.917 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.33 14.68 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.687 2.258 . . . . 64.54 112.319 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.6 m -92.91 134.79 34.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.837 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -59.37 -23.22 62.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 73.24 110.889 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -9.27 59.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.839 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -105.21 150.5 25.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.862 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -99.55 -175.75 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 71.13 110.928 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -100.28 82.44 2.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.89 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -160.53 68.58 2.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 75.52 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.89 55.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 64.11 112.366 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 25.1 m -53.86 134.37 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 74.53 111.13 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -90.18 97.52 11.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 65.13 110.868 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.49 -32.33 64.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.904 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 57.0 p -103.8 64.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.893 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 61.51 111.079 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 ttm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.83 0.348 . . . . 70.11 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.4 p -75.89 160.5 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 70.41 111.174 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.56 153.79 81.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 63.22 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -17.27 37.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 73.03 112.323 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -19.21 54.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.856 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.25 -1.2 31.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 60.32 112.478 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.72 150.04 37.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 73.14 110.87 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.566 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.9 Cg_endo -69.71 126.01 12.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 72.02 112.355 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -31.83 70.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.894 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -68.23 -46.86 69.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 43.03 110.83 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -61.97 -32.04 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 74.42 110.828 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.755 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.3 mm? -69.12 -45.97 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.7 -48.84 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 73.14 111.136 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.75 -35.77 81.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.919 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.523 ' HB3' HD11 ' A' ' 110' ' ' LEU . 3.8 mtmm -68.03 -49.64 60.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.907 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.755 ' CE2' HD12 ' A' ' 12' ' ' LEU . 12.9 m-85 -62.55 -24.99 67.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 65.02 110.809 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.7 m -60.94 -21.95 63.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 25.04 111.101 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.1 -7.62 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 65.43 111.106 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.647 HD13 HD22 ' A' ' 107' ' ' LEU . 46.0 mt -104.67 4.14 32.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.919 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.12 -151.0 19.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 51.32 112.467 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.78 20.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 62.34 112.367 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -61.89 122.9 16.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.987 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.432 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.9 mp -69.58 140.12 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 40.21 111.097 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.48 118.81 19.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.851 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -73.63 -51.71 15.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.901 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.64 -179.7 40.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 45.12 112.52 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -115.72 -31.83 5.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 72.23 110.928 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.5 m -87.12 -179.33 6.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -52.84 128.86 28.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.02 78.15 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 72.51 110.829 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.07 -54.75 6.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 61.42 110.913 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -114.82 160.19 19.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 70.53 110.84 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -97.48 153.89 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -143.36 121.07 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -118.06 141.4 48.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 60.13 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -106.88 112.46 25.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 72.33 110.882 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.3 m -106.54 102.63 12.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 34.24 110.889 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.406 HD22 ' HD2' ' A' ' 53' ' ' PHE . 16.8 mt -73.29 89.8 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 61.34 110.885 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.78 -58.72 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 75.45 111.094 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.4 t -129.58 144.38 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.124 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.1 t -88.41 122.83 32.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 45.41 110.878 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.33 -23.1 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.41 111.096 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 67.29 129.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 63.43 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.772 HG22 ' HD2' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -149.86 152.17 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 65.54 111.136 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 23.8 mtpt -56.37 -59.27 12.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 74.43 110.875 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.772 ' HD2' HG22 ' A' ' 44' ' ' VAL . 53.7 Cg_endo -69.72 -169.04 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.648 2.232 . . . . 64.3 112.363 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -55.36 157.5 6.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.721 . . . . 63.31 111.052 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.78 -32.64 18.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 42.12 112.321 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.52 -19.12 64.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.849 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -84.02 -13.28 53.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.889 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -121.4 154.96 35.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.875 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB2' HD11 ' A' ' 75' ' ' LEU . 4.2 mp0 -94.41 167.27 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 63.52 110.848 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HD2' HD22 ' A' ' 38' ' ' LEU . 11.2 m-85 -121.37 165.94 14.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.499 ' CZ3' HD13 ' A' ' 87' ' ' ILE . 18.4 m95 -82.06 136.38 35.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.23 126.9 1.03 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 71.4 112.501 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -88.65 125.8 35.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.8 0.334 . . . . 75.41 110.901 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -84.18 156.66 21.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.943 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.433 ' SD ' HD23 ' A' ' 60' ' ' LEU . 4.0 tmm? -128.02 121.07 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 71.14 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.04 116.94 30.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.867 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD23 ' SD ' ' A' ' 58' ' ' MET . 1.5 pp -130.33 159.91 35.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 61.43 110.929 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -130.96 111.97 12.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.877 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.93 135.72 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 62.43 111.063 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -100.44 -173.83 2.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.945 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -53.33 -57.74 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 71.52 110.921 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 26.96 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.929 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.728 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 26.0 mtm180 -147.34 169.96 18.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.606 ' HZ ' HD11 ' A' ' 12' ' ' LEU . 1.7 m-85 -126.71 163.07 24.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.865 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -140.0 164.7 29.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 73.52 111.135 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -158.51 143.54 16.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 75.44 110.925 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.81 160.47 35.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.859 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -100.7 113.57 26.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.947 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -135.48 116.8 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.42 110.918 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' HG11 ' A' ' 129' ' ' VAL . 26.1 m-85 -92.04 151.46 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.21 110.885 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -175.37 -146.65 5.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 62.52 112.496 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 85' ' ' VAL . 4.1 tt -145.41 143.6 30.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 64.15 110.916 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -105.22 115.26 29.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.904 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.59 -178.99 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.901 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -81.43 -24.21 37.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 65.2 110.924 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.42 -10.21 44.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 60.53 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.4 13.91 68.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 73.14 112.493 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.73 148.82 25.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 43.03 110.888 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -54.84 129.42 37.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -145.25 108.48 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 65.32 111.145 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 84' ' ' VAL . 17.3 m -84.97 119.91 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 53.24 111.148 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 75' ' ' LEU . 7.7 p -148.44 133.51 9.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.695 0.76 . . . . 64.24 111.12 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.71 141.69 46.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 74.23 112.38 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.499 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 28.8 mm -73.53 151.19 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 64.32 111.136 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.72 -173.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.926 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.96 169.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.947 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -52.42 -27.52 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 71.24 111.155 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -53.45 -42.48 67.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.904 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.7 t -79.97 -48.64 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 75.22 111.145 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.34 -33.04 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 71.3 111.167 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.01 -35.58 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 51.13 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -38.98 79.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.9 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.87 -34.93 72.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.34 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -56.65 -36.97 70.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 61.42 110.879 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -68.15 -51.19 48.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 65.44 110.919 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.1 p -63.45 -25.49 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 62.43 111.112 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.606 HD13 ' N ' ' A' ' 101' ' ' ARG . 0.9 OUTLIER -62.19 -54.64 38.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 63.51 110.9 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.606 ' N ' HD13 ' A' ' 100' ' ' LEU . 14.0 tpp180 -71.03 -42.09 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.855 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.99 -29.33 63.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.854 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -68.99 -40.06 79.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 73.01 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -70.33 -32.75 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.815 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -48.47 81.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 54.23 110.903 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.536 ' HG3' HD22 ' A' ' 19' ' ' LEU . 10.8 ptmt -73.74 -31.58 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.894 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.647 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -58.63 -35.67 72.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 61.2 110.853 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -62.14 -46.51 88.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.881 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.48 -46.32 80.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.84 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.639 HD22 ' CD1' ' A' ' 19' ' ' LEU . 10.5 tp -58.51 -51.39 70.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.903 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.773 HD21 HD13 ' A' ' 118' ' ' LEU . 5.6 mp -61.62 -32.06 72.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.937 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.0 mt -68.59 -30.05 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.4 111.1 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 t -73.26 -24.47 60.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.865 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.2 ptp -104.26 -2.02 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 73.24 110.886 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 63.81 34.86 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -102.92 121.44 42.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.909 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.728 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -69.38 159.54 32.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 70.31 111.139 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.773 HD13 HD21 ' A' ' 111' ' ' LEU . 19.1 tp -128.91 139.93 51.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 73.32 110.926 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -145.36 160.48 45.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 72.23 110.902 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 171.35 14.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 71.02 112.346 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.7 m -99.93 147.69 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 71.13 110.827 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -67.89 -23.01 65.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 74.54 110.911 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -95.77 26.44 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 64.55 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -91.02 121.67 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 71.52 110.882 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.49 -176.94 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.938 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.12 25.61 11.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.876 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -134.2 70.0 73.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 74.03 110.872 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 159.05 54.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.646 2.231 . . . . 62.0 112.371 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 131' ' ' LEU . 4.9 m -54.19 141.46 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 63.54 111.077 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -73.96 97.32 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.944 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 129' ' ' VAL . 4.3 mm? -73.7 -35.97 65.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 63.34 110.902 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.0 t -102.31 65.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 70.1 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.14 111.076 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.2 mmm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 64.21 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p -136.91 159.27 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 73.4 111.167 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.72 153.99 95.13 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 74.12 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -23.89 30.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 24.2 112.315 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 p -71.12 -16.62 62.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.884 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.47 -8.09 32.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 71.13 112.537 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.466 ' HD2' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -84.57 153.09 61.33 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.586 0.708 . . . . 64.24 110.912 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.641 ' O ' HD23 ' A' ' 12' ' ' LEU . 54.4 Cg_endo -69.69 123.78 10.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.735 2.29 . . . . 73.04 112.361 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -71.17 -54.31 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 74.11 110.849 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.4 m -54.14 -43.23 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.84 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -62.0 -47.42 84.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 64.23 110.86 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.809 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.7 mm? -58.92 -43.98 91.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.852 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -59.52 -48.49 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.34 111.13 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -34.17 76.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.962 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -68.31 -52.53 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.894 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.809 ' CE2' HD12 ' A' ' 12' ' ' LEU . 15.0 m-85 -59.09 -25.95 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.864 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.1 m -60.64 -21.93 63.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 52.32 111.124 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 -8.09 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.51 111.056 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.684 HD11 HD22 ' A' ' 110' ' ' LEU . 18.5 mt -104.88 3.86 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.883 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.46 -150.7 16.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 64.34 112.466 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.1 22.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 74.05 112.349 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.88 121.28 13.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.9 mp -67.32 140.93 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 74.5 111.139 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -77.96 93.62 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -93.26 141.43 28.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.912 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.76 -147.32 17.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 61.45 112.487 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -53.77 -33.73 56.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 72.11 110.901 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.0 m -52.49 -48.24 66.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 75.52 110.855 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -84.95 116.96 23.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.5 110.86 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -98.67 -64.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -127.8 -55.46 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.901 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -98.27 138.27 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 62.31 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -61.31 145.58 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 61.54 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -130.94 113.85 14.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 61.22 110.872 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.03 133.1 56.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 64.31 110.841 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.95 112.32 25.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 33.15 110.896 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -106.76 130.26 54.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 51.25 110.855 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.31 131.48 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.917 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 54' ' ' TRP . . . -107.06 -64.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.3 111.1 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -150.32 133.49 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 55.15 111.078 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.2 m -67.64 118.55 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 74.55 110.866 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.484 HG12 ' OD1' ' A' ' 43' ' ' ASN . 44.7 t -53.28 -36.9 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 64.42 111.115 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.484 ' OD1' HG12 ' A' ' 42' ' ' VAL . 22.1 m120 -153.99 140.35 18.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 71.45 110.932 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.4 p -116.26 -21.43 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.117 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.64 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 8.7 mtpt -66.43 -52.01 39.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 71.21 110.908 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.2 Cg_endo -69.71 163.72 37.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 74.13 112.344 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.81 160.1 1.18 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 74.21 111.098 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 -28.62 24.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 61.04 112.313 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -80.24 -1.77 42.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 72.53 110.904 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -115.77 -14.06 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.887 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -91.53 159.59 15.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.4 110.823 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.719 ' HB3' HD11 ' A' ' 75' ' ' LEU . 79.1 mt-10 -130.3 166.98 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -126.48 140.17 52.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 54.3 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . 23.5 m95 -80.96 157.9 25.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 75.22 110.92 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.29 177.54 38.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.799 -0.715 . . . . 72.22 112.477 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -130.22 115.82 17.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 74.03 110.893 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -59.01 120.81 9.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.913 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.455 ' HE3' HD22 ' A' ' 60' ' ' LEU . 3.3 ttt -93.07 112.07 23.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 70.31 110.858 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.8 113.52 25.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 64.03 110.887 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.533 HD13 ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -134.57 159.49 41.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 50.23 110.927 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -133.37 111.59 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.892 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . . . -68.83 116.25 9.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 64.21 111.112 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.575 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -88.4 -172.28 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.911 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.575 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 5.9 mt-10 -52.66 -52.4 55.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 55.34 110.909 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.69 25.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -139.58 145.93 39.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.1 110.838 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -120.37 138.19 53.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.906 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.6 t -121.93 164.27 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.4 111.158 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.533 ' CE1' HD13 ' A' ' 60' ' ' LEU . 87.2 m-85 -151.8 161.22 43.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.933 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -148.09 160.87 42.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.877 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -110.61 114.83 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.915 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -135.79 130.35 33.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -91.9 164.34 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 72.05 110.887 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.07 -173.79 42.94 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 40.02 112.495 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -109.15 131.41 55.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 73.3 110.91 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.639 ' N ' HD13 ' A' ' 75' ' ' LEU . 11.8 t80 -107.03 95.25 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.893 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -72.0 175.76 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 44.31 110.862 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -75.81 -29.19 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 55.35 110.914 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.89 -9.85 41.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.884 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.91 19.5 28.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 64.41 112.481 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -69.79 140.23 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 75.12 110.886 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 47.4 p90 -95.3 122.48 38.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.4 m -145.73 137.11 24.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.22 111.154 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.0 m -98.0 116.08 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 75.22 111.098 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.495 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.7 OUTLIER -139.88 158.2 68.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 73.44 111.133 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.52 60.05 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 70.13 112.344 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.443 HG21 HG23 ' A' ' 93' ' ' VAL . 47.6 mm -92.24 146.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 45.11 111.165 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -58.49 -174.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.02 110.878 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -50.42 167.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 t -53.57 -27.54 26.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.129 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HG3' HG23 ' A' ' 92' ' ' VAL . 19.9 pt-20 -53.56 -42.27 67.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 54.44 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.411 HG23 ' HG3' ' A' ' 91' ' ' GLU . 90.6 t -79.69 -48.71 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.54 111.15 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.443 HG23 HG21 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -51.23 -33.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 71.11 111.128 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.21 -36.31 81.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 53.34 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.581 ' O ' HG23 ' A' ' 99' ' ' THR . 16.6 tpp180 -73.01 -31.91 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.86 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.94 -34.84 73.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HA ' HD23 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -68.61 -40.95 80.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.856 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -71.65 -36.24 70.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 63.24 110.953 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 95' ' ' ARG . 29.8 p -65.65 -46.47 79.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 73.52 111.115 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.9 OUTLIER -67.03 -34.15 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.94 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -68.57 -44.17 74.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 71.43 110.899 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.62 -29.26 63.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.32 110.892 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -58.28 -40.93 83.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.895 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.526 ' NE2' HD21 ' A' ' 118' ' ' LEU . 23.8 t-80 -70.28 -32.57 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 74.14 110.808 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.76 -48.8 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 52.11 110.923 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -74.06 -32.15 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 62.33 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.14 -35.72 82.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.915 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.536 ' HG3' HD22 ' A' ' 118' ' ' LEU . 22.0 ttp180 -62.72 -44.02 97.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.929 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.515 ' HA ' HD12 ' A' ' 112' ' ' ILE . 11.7 t0 -55.72 -46.79 77.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 74.34 110.893 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 19' ' ' LEU . 32.2 tp -58.86 -50.0 75.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.918 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.527 ' CD2' HD13 ' A' ' 118' ' ' LEU . 6.9 mp -63.73 -36.23 83.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 75.2 110.875 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.3 mt -60.94 -39.13 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 73.53 111.141 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -22.03 60.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.86 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.3 mtm -95.23 -7.85 37.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.869 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 63.47 41.71 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.857 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -103.47 137.63 41.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 62.01 110.905 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.27 138.12 57.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.41 111.084 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.536 HD22 ' HG3' ' A' ' 108' ' ' ARG . 5.6 tp -129.55 133.15 47.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 71.43 110.935 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -146.59 159.95 42.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.677 0.751 . . . . 64.32 110.861 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.27 14.76 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.658 2.239 . . . . 51.15 112.327 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.1 m -73.55 138.33 44.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.799 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.48 -22.42 54.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 65.35 110.835 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.68 25.86 4.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.816 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -93.27 107.66 19.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.873 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -93.28 -175.71 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 71.02 110.849 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.79 54.04 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 62.54 110.877 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -164.02 68.25 1.56 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.677 0.751 . . . . 71.53 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 159.13 54.55 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.687 2.258 . . . . 65.03 112.378 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.702 HG23 HD21 ' A' ' 131' ' ' LEU . 7.0 m -53.77 124.27 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.02 111.121 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -66.97 97.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.13 110.902 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.702 HD21 HG23 ' A' ' 129' ' ' VAL . 5.7 mt -73.7 -30.84 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 70.42 110.934 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.4 m -105.39 45.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.847 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 64.0 111.114 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.859 0.361 . . . . 64.11 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.8 p -119.84 159.76 23.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 74.04 111.112 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.35 153.9 91.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 55.13 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -22.54 31.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 73.02 112.325 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.457 ' OG ' ' HB3' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -72.04 -18.53 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.45 110.889 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.35 1.06 31.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.745 . . . . 22.12 112.485 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.52 153.07 40.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 52.32 110.853 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.621 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.3 Cg_endo -69.8 125.04 11.67 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.277 . . . . 70.3 112.325 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -69.5 -50.56 44.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 63.02 110.872 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -54.71 -43.7 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 73.21 110.871 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -62.05 -45.72 92.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.864 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.793 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.0 mm? -58.61 -48.31 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 61.05 110.898 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.78 -43.43 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 64.52 111.141 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -67.98 -41.68 81.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.929 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.807 ' HB3' HD11 ' A' ' 110' ' ' LEU . 5.9 mttm -65.46 -47.88 74.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.25 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.793 ' CE2' HD12 ' A' ' 12' ' ' LEU . 15.6 m-85 -58.79 -26.03 63.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.0 m -62.76 -21.38 65.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 71.15 111.128 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.18 -7.3 58.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 64.32 111.088 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.874 HD11 HD22 ' A' ' 110' ' ' LEU . 60.0 mt -104.37 4.23 33.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.05 110.928 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.52 -149.39 16.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 52.42 112.505 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 168.91 20.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.256 . . . . 74.14 112.336 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -61.92 122.11 14.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.959 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.6 mp -68.06 140.77 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 61.33 111.145 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -86.38 120.59 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.859 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -51.22 -65.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 71.34 110.912 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.83 18.08 14.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.72 . . . . 25.41 112.526 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 39.42 41.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.75 0.31 . . . . 75.32 110.905 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -142.57 157.51 44.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.55 110.866 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -111.48 -37.53 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.899 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -112.72 89.31 3.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 73.02 110.901 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -163.3 -177.03 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -98.07 160.24 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.817 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -79.41 135.97 36.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -120.26 123.28 42.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 73.35 110.882 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -120.04 133.1 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -106.8 112.41 25.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 75.12 110.864 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 m -106.72 133.82 50.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.663 HD13 ' CD2' ' A' ' 53' ' ' PHE . 9.6 mt -110.57 97.98 7.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 64.1 110.935 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.3 -71.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 63.33 111.088 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.702 HG21 HG13 ' A' ' 92' ' ' VAL . 1.2 m -125.86 144.0 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 72.53 111.147 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.7 p -84.87 128.2 34.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 72.35 110.854 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.92 -33.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 74.43 111.07 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -130.1 108.58 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 75.31 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.703 HG23 ' CZ ' ' A' ' 51' ' ' ARG . 10.1 p -121.84 -7.54 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.21 111.15 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.519 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 8.2 mtmm -66.38 -58.04 11.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 72.22 110.892 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.9 Cg_endo -69.72 177.46 5.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 54.24 112.351 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.43 160.28 1.01 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 34.31 111.094 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.71 -23.36 31.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 73.41 112.364 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.79 -24.69 67.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -109.86 16.94 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 60.52 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.703 ' CZ ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -70.74 146.07 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.906 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -137.09 139.36 41.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 63.14 110.915 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.663 ' CD2' HD13 ' A' ' 38' ' ' LEU . 26.4 m-85 -121.74 146.1 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.903 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.583 ' HD1' HG23 ' A' ' 40' ' ' VAL . 78.7 m95 -81.56 128.62 34.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 61.54 110.923 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -153.68 168.78 32.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 70.2 112.457 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 11.7 p-90 -115.49 155.03 28.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.732 0.301 . . . . 74.42 110.944 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -104.95 116.28 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 74.44 110.874 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.5 ttt -108.21 112.74 25.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 62.41 110.908 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -112.75 118.5 35.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 72.12 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD12 ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -130.58 155.71 46.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 72.15 110.918 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -137.73 115.92 11.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.854 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.457 ' HB3' ' OG ' ' A' ' 5' ' ' SER . . . -51.22 141.04 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 64.13 111.092 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -170.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 75.4 110.872 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.06 -51.45 69.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.915 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -143.6 25.4 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.928 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.648 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 32.0 mtt180 -146.81 171.26 15.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.837 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.702 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -136.68 136.4 39.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 70.2 110.92 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -105.17 164.67 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 42.24 111.141 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -156.96 143.38 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.931 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -147.57 160.58 42.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 71.3 110.881 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -133.06 133.63 43.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.929 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -130.22 145.76 51.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 64.23 110.918 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -91.84 146.41 23.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.06 -144.06 7.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 43.21 112.486 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 85' ' ' VAL . 9.6 tt -145.35 145.9 31.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 73.25 110.96 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.414 ' N ' HD23 ' A' ' 75' ' ' LEU . 72.2 t80 -121.38 120.44 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.879 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -97.74 -176.44 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.866 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -77.57 -23.57 49.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 73.35 110.955 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -78.23 -9.7 59.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.42 21.35 77.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 34.44 112.509 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -91.64 121.46 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 74.42 110.881 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -63.0 122.66 16.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 64.53 110.925 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.9 m -142.36 121.4 12.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 71.12 111.143 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.01 131.4 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 61.2 111.142 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 75' ' ' LEU . 21.1 t -145.0 132.76 10.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 72.14 111.107 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.57 48.23 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 65.12 112.345 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.568 HG21 HG23 ' A' ' 93' ' ' VAL . 45.9 mm -92.41 118.64 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 74.21 111.195 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.45 152.88 18.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 64.14 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 63.86 105.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.861 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.1 t -52.93 -28.85 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.11 111.142 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.86 -38.04 64.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.914 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.702 HG13 HG21 ' A' ' 40' ' ' VAL . 92.1 t -78.66 -47.05 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.114 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.568 HG23 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -51.76 -32.89 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 42.34 111.161 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.87 -34.52 77.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 64.4 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -34.63 63.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 72.51 110.887 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.5 -41.09 73.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.936 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.724 ' HA ' HD23 ' A' ' 100' ' ' LEU . 25.5 pt-20 -69.1 -32.69 72.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.911 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -71.68 -36.4 70.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 61.14 110.873 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -46.41 80.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 75.13 111.143 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.724 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -59.07 -34.2 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.892 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.468 ' HD3' HD22 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -69.76 -49.01 57.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.912 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -65.36 -29.5 70.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 45.01 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -66.61 -34.57 78.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.908 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -46.41 67.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.4 110.875 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.88 -47.91 81.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.574 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -63.18 -32.19 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 75.35 110.894 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.476 HD12 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -70.89 -34.38 71.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 52.34 110.902 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -42.77 64.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 53.44 110.885 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.78 -35.81 81.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.83 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.874 HD22 HD11 ' A' ' 19' ' ' LEU . 6.2 tp -70.84 -51.02 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 64.43 110.882 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.483 HD12 HD11 ' A' ' 118' ' ' LEU . 59.1 mt -64.03 -41.28 97.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 62.24 110.93 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 30.9 mt -61.2 -36.12 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.12 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.6 t -67.86 -22.92 65.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 73.21 110.885 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 28.4 mtm -95.74 2.73 54.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.895 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 63.5 43.31 5.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.13 161.35 15.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.903 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.648 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -111.56 159.53 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 62.53 111.127 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.483 HD11 HD12 ' A' ' 111' ' ' LEU . 9.1 mt -120.95 142.61 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 54.42 110.938 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -137.33 160.6 64.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 51.5 110.923 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 171.28 14.66 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.757 2.304 . . . . 74.34 112.354 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -101.92 158.27 16.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 71.11 110.879 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.04 -16.66 52.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 54.54 110.865 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -95.45 25.35 4.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.858 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -111.09 107.55 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 64.1 110.911 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -89.63 -74.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.03 110.906 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.65 -172.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 56.91 68.29 2.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 71.33 110.891 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 158.99 55.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.272 . . . . 54.04 112.354 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.3 m -54.33 128.46 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.21 111.133 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -79.61 97.39 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 63.22 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.468 HD22 ' HD3' ' A' ' 101' ' ' ARG . 3.4 mp -73.74 -35.3 65.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 74.14 110.916 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.2 m -98.68 50.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.837 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 63.24 111.132 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.868 0.366 . . . . 45.32 110.919 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -96.12 161.08 14.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 53.45 111.068 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.547 HD21 ' HD3' ' A' ' 9' ' ' LYS . 21.1 mt -63.37 153.52 82.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 73.11 110.909 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.17 37.92 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 61.32 112.383 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.84 -18.59 60.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.845 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.41 4.29 30.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 63.33 112.467 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.603 ' HD2' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -94.85 138.0 22.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 70.5 110.811 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 125.87 12.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 73.31 112.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HD3' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -68.88 -41.33 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.919 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.2 t -57.86 -30.36 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 74.1 110.846 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -77.88 -49.15 14.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 61.11 110.874 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.821 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 3.8 mm? -58.38 -46.6 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 64.53 110.974 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.614 HG23 ' HB ' ' A' ' 23' ' ' ILE . 37.3 mm -61.76 -33.1 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 62.14 111.133 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -68.8 -49.4 58.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.884 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.688 ' HD2' HD13 ' A' ' 12' ' ' LEU . 3.0 ptpt -66.71 -42.08 86.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 70.12 110.925 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.821 ' CZ ' HD12 ' A' ' 12' ' ' LEU . 15.1 m-85 -62.33 -21.31 65.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.1 m -74.91 -21.51 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 64.21 111.127 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.72 -7.42 58.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 73.13 111.105 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.986 HD11 HD22 ' A' ' 110' ' ' LEU . 10.2 mt -104.3 4.18 33.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 65.11 110.911 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.8 -153.27 20.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 61.32 112.492 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 168.93 20.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 72.3 112.33 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.89 134.63 56.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.963 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.614 ' HB ' HG23 ' A' ' 13' ' ' ILE . 4.9 mp -80.21 143.87 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 74.14 111.143 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.1 ttt-85 -81.25 93.85 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 65.31 110.855 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -53.13 171.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 62.24 110.879 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.58 144.47 11.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 75.02 112.478 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -120.93 51.17 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.744 0.306 . . . . 72.02 110.926 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 83.7 m -125.84 -174.95 3.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.922 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -54.19 173.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.54 110.897 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.45 120.86 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 62.35 110.871 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -141.91 -177.27 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 55.24 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -101.74 160.4 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.5 110.836 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -68.17 156.11 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 64.05 110.879 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -128.17 145.39 51.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.845 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -147.98 134.29 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.874 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.73 113.16 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 61.32 110.851 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 t -99.05 125.31 44.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 70.23 110.893 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 mt -109.52 130.88 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 73.24 110.917 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.61 -49.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 45.43 111.119 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.658 HG21 HG13 ' A' ' 92' ' ' VAL . 3.2 m -154.01 153.18 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.108 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.5 t -90.6 142.82 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 71.13 110.899 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 52' ' ' GLU . 7.0 p -81.18 -32.78 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.51 111.139 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -171.87 138.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 34.54 110.903 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.51 21.3 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 50.22 111.112 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.519 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -66.76 -58.43 9.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 62.33 110.899 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.69 -175.96 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 64.11 112.358 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -64.32 160.05 53.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 64.51 111.057 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.8 -35.01 13.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 71.4 112.364 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.05 -25.5 65.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.32 110.873 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -110.49 17.09 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 74.55 110.87 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -78.79 148.55 32.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 42' ' ' VAL . 39.0 mt-10 -110.69 146.85 35.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.853 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' O ' HD12 ' A' ' 75' ' ' LEU . 11.3 m-85 -133.07 148.63 52.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 64.12 110.902 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.576 ' HD1' HG23 ' A' ' 40' ' ' VAL . 67.4 m95 -80.65 146.33 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.883 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . 179.02 -139.69 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 55.31 112.442 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.3 p-90 -175.69 126.43 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 73.41 110.904 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 18.1 p90 -84.99 143.94 28.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' HD22 ' A' ' 60' ' ' LEU . 2.4 tmm? -125.55 112.96 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 72.25 110.904 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -113.35 116.52 29.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.849 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD22 ' SD ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -130.68 159.45 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.912 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -135.63 111.62 9.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.857 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 3' ' ' LEU . . . -52.48 117.5 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 43.44 111.129 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.94 -169.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.937 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -51.71 -54.13 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.904 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 26.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.12 110.934 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.792 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 18.1 mtt180 -145.0 161.21 39.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.881 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -120.8 156.81 31.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -141.07 158.77 43.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 65.04 111.126 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CE1' HD11 ' A' ' 118' ' ' LEU . 1.9 p90 -158.48 169.16 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.878 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 151.91 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 72.02 110.897 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -113.02 116.43 29.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.943 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -132.08 146.53 52.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 61.24 110.919 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -94.85 148.25 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 70.43 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.76 -146.27 5.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 74.21 112.448 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 53' ' ' PHE . 35.8 tp -144.8 145.86 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 71.11 110.93 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -99.98 98.84 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 64.02 110.907 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -78.74 175.89 10.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.863 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -25.38 44.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 54.33 110.905 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -87.12 -9.65 54.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.65 18.67 74.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 63.01 112.506 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -95.84 135.0 38.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 75.42 110.892 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -52.56 126.05 18.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.946 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -137.3 106.39 6.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 64.4 111.147 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 84' ' ' VAL . 12.4 m -64.4 114.98 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 64.54 111.12 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.424 HG23 ' HD2' ' A' ' 86' ' ' PRO . 7.3 p -148.26 133.17 9.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 43.14 111.172 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 85' ' ' VAL . 54.3 Cg_endo -69.68 150.83 69.22 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 74.32 112.388 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.3 mm -96.7 122.22 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 61.33 111.14 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -96.36 155.42 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.52 110.839 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 62.93 105.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 72.4 110.91 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -52.58 -28.76 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 61.45 111.159 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.92 -34.93 61.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.899 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.658 HG13 HG21 ' A' ' 40' ' ' VAL . 84.1 t -79.89 -33.64 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 70.14 111.083 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.71 -34.58 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.52 111.115 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.14 -29.14 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 99' ' ' THR . 18.7 tpp180 -74.6 -43.07 57.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.897 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.446 HD11 ' HA2' ' A' ' 55' ' ' GLY . 4.2 mm? -68.94 -34.88 76.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.575 ' HG2' HG11 ' A' ' 129' ' ' VAL . 44.0 mt-10 -56.7 -41.45 77.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.89 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -71.85 -37.22 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.935 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 95' ' ' ARG . 23.8 p -66.31 -46.6 76.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 74.54 111.178 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 100' ' ' LEU . 1.8 pp -71.97 -35.44 69.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.931 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -67.76 -42.35 81.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.4 110.85 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -72.75 -32.49 65.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.874 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.403 ' HE1' HD23 ' A' ' 107' ' ' LEU . 4.8 t80 -61.02 -35.39 76.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.908 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.26 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 72.43 110.872 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.7 -47.76 79.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 61.24 110.847 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -32.63 69.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 60.1 110.904 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.686 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.31 -35.6 80.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 61.4 110.884 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.505 ' HD3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -65.68 -39.29 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.902 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -57.87 -46.87 84.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.892 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.986 HD22 HD11 ' A' ' 19' ' ' LEU . 52.2 tp -58.7 -51.23 70.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.34 110.903 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 118' ' ' LEU . 6.3 mp -59.8 -31.56 69.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 73.55 110.89 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.505 HD11 ' HD3' ' A' ' 108' ' ' ARG . 26.7 mt -70.89 -29.8 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 53.51 111.105 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 t -73.61 -26.4 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 62.34 110.885 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.479 ' HB2' HD23 ' A' ' 116' ' ' LEU . 12.5 ptp -98.69 -1.34 40.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 71.04 110.923 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 64.0 35.13 10.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.479 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.2 mm? -102.08 113.89 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 65.54 110.923 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.792 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -59.44 148.81 31.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 62.22 111.124 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.679 ' HB2' HD23 ' A' ' 111' ' ' LEU . 2.6 tt -129.72 141.69 50.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -147.48 160.3 39.33 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.668 0.747 . . . . 43.04 110.885 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.37 14.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.239 . . . . 43.33 112.359 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 m -75.34 147.61 39.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 21.34 110.871 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -69.25 -18.82 63.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 62.22 110.847 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.67 26.57 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.851 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.94 138.74 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.874 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -98.03 -179.19 4.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 65.2 110.894 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -94.58 65.7 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 61.41 110.864 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -150.74 67.94 8.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 75.31 110.916 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 158.78 55.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 74.43 112.345 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.66 ' O ' HD12 ' A' ' 131' ' ' LEU . 38.0 t -62.13 117.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 71.03 111.122 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -69.45 97.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.4 110.932 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 129' ' ' VAL . 4.8 mp -73.76 -28.2 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 52.32 110.928 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 t -85.68 61.97 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.852 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.25 111.12 179.875 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.859 0.362 . . . . 73.02 110.845 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.6 p -100.91 159.44 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 65.13 111.128 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.93 153.55 88.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.608 0.718 . . . . 51.02 110.934 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.27 31.0 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.717 2.278 . . . . 73.33 112.312 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -17.64 62.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.865 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.39 -4.8 31.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 41.24 112.504 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 150.57 44.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.571 0.7 . . . . 75.24 110.873 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.655 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.5 Cg_endo -69.78 124.19 10.83 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.639 2.226 . . . . 64.1 112.338 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -70.63 -46.52 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.863 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -53.91 -46.97 71.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 44.52 110.849 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -62.28 -48.57 79.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 63.41 110.851 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.77 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.6 mm? -59.12 -49.02 79.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.31 110.94 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.7 mm -57.37 -45.53 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 71.12 111.123 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -37.54 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.896 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.715 ' HB3' HD11 ' A' ' 110' ' ' LEU . 5.6 mtpp -67.08 -51.45 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 50.12 110.952 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.77 ' CE2' HD12 ' A' ' 12' ' ' LEU . 25.7 m-85 -58.54 -26.65 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.894 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.0 m -63.14 -21.35 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.3 111.145 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -7.9 58.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 54.41 111.121 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.005 HD11 HD22 ' A' ' 110' ' ' LEU . 21.4 mt -105.01 4.27 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 61.21 110.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.97 -151.71 19.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 53.23 112.516 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.98 20.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 73.42 112.378 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -61.76 127.02 29.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.923 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.6 mp -74.89 141.91 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.34 111.094 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -87.57 115.91 25.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.52 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.35 -58.23 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.899 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.32 -133.0 11.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 51.35 112.456 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -139.16 -176.38 4.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 74.34 110.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 m -66.51 -170.96 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.86 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 59.6 95.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 33.03 110.891 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 56.06 83.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 61.53 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -66.38 98.73 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.54 110.885 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -98.61 152.11 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.864 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -96.75 139.59 32.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.899 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 23' ' ' ILE . 9.8 t80 -116.87 141.15 48.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.9 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -134.29 136.37 43.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.87 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -106.77 112.74 25.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 62.21 110.859 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.8 t -94.26 120.39 34.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.925 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.1 mt -109.77 123.26 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 73.13 110.93 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 40' ' ' VAL . . . -131.01 -47.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 63.03 111.09 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG21 HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -156.9 157.0 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 62.24 111.118 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.93 133.54 33.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 61.52 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.761 HG22 ' CE2' ' A' ' 54' ' ' TRP . 20.9 t -66.53 -48.65 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.31 111.121 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -167.45 131.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 65.14 110.904 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -96.08 26.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 64.51 111.13 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.526 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.7 mtpm? -66.86 -58.38 9.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.556 0.693 . . . . 64.15 110.908 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.0 Cg_endo -69.76 179.32 3.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 51.32 112.358 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.549 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -52.35 160.01 1.42 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 70.35 111.101 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.549 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 -31.09 21.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 55.52 112.322 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -71.16 -25.62 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.91 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -98.86 17.07 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 74.24 110.915 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -56.65 142.4 39.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 64.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -118.27 132.72 56.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.868 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.46 160.09 21.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.31 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.761 ' CE2' HG22 ' A' ' 42' ' ' VAL . 45.1 m95 -93.52 149.89 20.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.935 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.43 -145.93 7.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.729 . . . . 63.14 112.52 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -166.41 119.76 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.321 . . . . 74.34 110.916 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -74.8 151.03 39.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.907 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.49 ' CE ' HD22 ' A' ' 60' ' ' LEU . 21.7 ttp -145.72 117.21 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.848 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -110.38 114.04 27.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 51.43 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.49 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -118.42 159.41 23.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.912 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -136.69 117.93 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.875 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.61 148.27 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.31 111.1 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.416 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -111.26 -176.88 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.933 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 12.5 mt-10 -52.04 -51.69 55.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.905 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.9 30.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.925 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.753 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 55.3 mtt180 -155.24 176.95 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 71.22 110.888 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.96 150.7 51.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -141.04 157.17 45.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 73.11 111.149 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -153.71 167.13 30.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 74.31 110.969 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -132.24 160.53 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.86 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -106.08 106.47 17.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -134.51 125.87 28.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 72.23 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -91.85 165.01 13.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 70.45 110.928 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.6 -143.61 6.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 73.13 112.5 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.816 HD13 HG11 ' A' ' 85' ' ' VAL . 3.1 tt -145.44 145.56 31.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 74.35 110.917 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -105.9 105.62 15.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 44.5 110.889 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.54 178.26 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 71.21 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -30.03 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.883 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -105.36 -9.74 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.43 110.92 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.88 18.66 79.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 70.44 112.485 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.38 141.0 47.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 63.4 110.913 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -52.2 122.53 8.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.877 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.3 m -145.14 106.34 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.04 111.172 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 84' ' ' VAL . 13.0 m -66.7 114.28 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 74.43 111.105 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.816 HG11 HD13 ' A' ' 75' ' ' LEU . 7.4 p -148.38 133.73 9.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 52.21 111.144 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.8 149.38 66.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 72.54 112.335 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.514 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 36.3 mm -84.01 148.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.114 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -173.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.3 110.891 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -50.2 167.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.892 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -52.88 -27.77 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.167 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -53.67 -42.11 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 54.5 110.865 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.645 HG13 HG21 ' A' ' 40' ' ' VAL . 91.4 t -79.53 -48.75 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 51.31 111.101 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.28 -33.22 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.22 111.152 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -63.02 -35.99 82.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 99' ' ' THR . 21.2 tpp180 -68.45 -40.11 81.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 70.3 110.867 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.72 -34.91 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.94 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.795 ' HA ' HD23 ' A' ' 100' ' ' LEU . 4.8 tm-20 -59.38 -37.98 79.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.885 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -70.97 -33.81 70.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.935 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 95' ' ' ARG . 30.1 p -74.4 -30.78 62.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 63.44 111.169 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.795 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.4 OUTLIER -73.17 -37.79 66.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 63.13 110.913 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 15.8 ptm180 -72.39 -38.0 68.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.05 110.845 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.55 -38.17 68.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.896 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.96 -35.83 77.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.841 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -40.97 73.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.862 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.38 -47.06 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 55.32 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -33.08 70.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.23 110.873 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -34.83 70.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 55.1 110.932 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -38.84 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 51.11 110.872 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.1 -36.32 82.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.861 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 1.005 HD22 HD11 ' A' ' 19' ' ' LEU . 5.7 tp -66.6 -51.12 59.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.878 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' A' ' 118' ' ' LEU . 6.7 mp -62.92 -35.17 79.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 54.1 110.886 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.64 -30.38 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.4 111.16 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.5 t -73.69 -23.87 59.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 55.42 110.859 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 32.6 mtm -99.35 1.75 44.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 62.35 110.887 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 63.56 33.44 13.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 52.54 110.882 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.35 136.04 44.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 52.35 110.932 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.753 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -82.7 153.57 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 54.33 111.122 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' A' ' 111' ' ' LEU . 7.9 tt -129.82 141.66 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 70.44 110.898 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -134.17 160.31 69.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.663 0.744 . . . . 75.15 110.877 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.72 15.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 74.25 112.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.82 -179.26 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 54.32 110.842 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -75.07 -33.63 61.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 71.13 110.861 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.25 26.49 4.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 64.04 110.845 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -92.94 152.43 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 65.41 110.895 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 63.23 41.34 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 64.41 110.877 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -126.95 -39.2 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.861 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -170.62 68.35 0.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 65.42 110.919 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.14 68.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.242 . . . . 74.35 112.366 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.406 HG21 ' HG2' ' A' ' 97' ' ' GLU . 35.8 m -69.06 170.37 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 72.03 111.128 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -75.2 98.37 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.892 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.611 HD13 ' OE2' ' A' ' 97' ' ' GLU . 4.0 mm? -69.19 -25.75 64.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.945 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.6 t -96.2 28.23 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.886 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.33 111.143 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.875 0.369 . . . . 73.31 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.8 p -77.68 159.74 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 63.33 111.119 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.729 HD11 HD22 ' A' ' 12' ' ' LEU . 10.6 mt -66.91 153.72 93.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 73.13 110.908 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -18.59 37.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 2.287 . . . . 43.32 112.35 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -76.36 -14.31 60.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.893 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.55 -21.11 26.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 75.32 112.549 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.54 147.97 87.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 71.12 110.877 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 123.61 10.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 73.52 112.382 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -71.57 -55.5 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 63.3 110.865 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -54.35 -43.54 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 74.43 110.853 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -61.27 -36.82 81.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 72.52 110.859 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.729 HD22 HD11 ' A' ' 3' ' ' LEU . 2.0 mp -68.42 -41.0 81.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 45.43 110.861 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mm -55.95 -48.97 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.096 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -34.34 77.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.913 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.814 ' HB3' HD11 ' A' ' 110' ' ' LEU . 17.1 mttp -65.95 -50.2 65.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 62.34 110.9 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -64.64 -22.9 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 44.52 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.4 m -65.56 -22.34 66.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 75.23 111.131 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.95 -8.69 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 74.34 111.114 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.91 HD11 HD22 ' A' ' 110' ' ' LEU . 19.3 mt -105.16 4.03 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.943 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.94 -154.16 22.18 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 34.44 112.469 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.7 20.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 73.42 112.364 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -62.11 130.15 44.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.921 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -77.7 141.76 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 70.5 111.152 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.0 97.54 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 53.01 110.845 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -54.12 -73.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 63.21 110.905 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.01 178.63 27.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 55.14 112.509 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -112.08 -25.92 9.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.777 0.322 . . . . 63.5 110.88 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.3 p -54.45 161.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.926 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.11 47.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 63.13 110.927 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -95.2 151.45 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 74.35 110.868 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -104.1 49.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.842 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -129.76 160.17 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 63.32 110.914 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -120.1 115.16 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.828 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -95.84 144.39 26.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 52.51 110.895 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -139.48 116.48 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.898 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -106.91 111.54 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 74.11 110.899 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -107.39 160.46 15.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.915 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.7 mt -110.89 98.26 7.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.918 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.49 -70.93 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 64.54 111.087 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -144.74 151.43 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 61.12 111.093 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 t -84.68 116.09 23.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.872 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 52' ' ' GLU . 6.3 p -81.82 -25.17 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 72.41 111.108 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -87.93 118.68 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.92 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -150.89 -41.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 62.01 111.129 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 35.0 mttt -66.61 -57.46 12.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 54.02 110.915 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.2 Cg_endo -69.78 178.26 4.76 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.711 2.274 . . . . 71.44 112.291 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.545 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -55.36 159.8 4.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.542 0.687 . . . . 73.51 111.117 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.81 -22.16 32.24 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.645 2.23 . . . . 54.4 112.298 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.68 -17.53 55.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.883 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -99.73 18.16 18.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.72 121.74 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 64.43 110.876 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.471 ' O ' HG12 ' A' ' 42' ' ' VAL . 72.2 mt-10 -136.96 126.78 25.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.857 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -112.99 149.11 33.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.918 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.729 ' CD1' HG11 ' A' ' 92' ' ' VAL . 52.6 m95 -80.71 141.91 34.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.925 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.24 -173.24 14.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 45.13 112.503 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -88.44 -174.97 4.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.696 0.284 . . . . 73.45 110.968 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -170.38 50.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 74.02 110.893 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.5 ttp -92.36 115.38 28.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.886 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.14 113.62 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.35 110.896 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD13 ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -120.73 159.38 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 63.42 110.858 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -132.94 111.02 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.919 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.24 117.11 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 71.11 111.114 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.33 -169.4 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 75.14 110.863 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.29 -63.24 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 72.15 110.863 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.91 40.71 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 63.01 110.92 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.56 174.52 12.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 45.23 110.876 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.61 ' HZ ' HD21 ' A' ' 12' ' ' LEU . 1.2 m-85 -144.5 126.85 15.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.52 110.92 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -108.69 164.1 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 63.42 111.183 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.652 ' CE1' HD13 ' A' ' 60' ' ' LEU . 83.0 m-85 -151.95 156.21 39.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 75.04 110.893 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -141.81 141.68 33.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 70.5 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -84.84 103.92 14.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 53.34 110.913 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -136.0 146.71 47.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 72.25 110.929 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -109.05 155.59 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 70.21 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.11 -166.06 16.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 73.42 112.52 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.494 HD13 HG11 ' A' ' 85' ' ' VAL . 2.9 tt -138.12 145.93 42.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 73.14 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -99.89 109.83 22.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.32 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.27 -179.17 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.855 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.33 -26.09 68.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.08 -9.73 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 63.34 110.866 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.68 20.19 75.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 73.41 112.473 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -81.56 148.24 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 74.44 110.88 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -63.06 123.23 18.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.43 110.932 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -140.88 107.64 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 70.34 111.19 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 84' ' ' VAL . 11.0 m -60.64 114.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.161 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.494 HG11 HD13 ' A' ' 75' ' ' LEU . 7.3 p -148.12 133.32 9.21 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.651 0.739 . . . . 73.23 111.096 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.5 Cg_endo -69.81 146.46 59.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.652 2.234 . . . . 72.34 112.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.535 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 41.9 mm -81.83 116.82 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.12 111.162 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -89.19 151.56 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 61.31 110.891 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 63.16 105.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.4 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 t -54.9 -28.18 48.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.164 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.92 -36.31 62.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.729 HG11 ' CD1' ' A' ' 54' ' ' TRP . 58.7 t -78.79 -46.73 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.131 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -33.0 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 64.51 111.116 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.85 -36.85 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 54.02 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.697 ' O ' HG23 ' A' ' 99' ' ' THR . 30.8 tpt180 -69.47 -46.72 66.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.873 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.48 -34.7 77.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 51.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.636 ' HA ' HD23 ' A' ' 100' ' ' LEU . 11.0 mt-10 -61.05 -44.22 97.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.886 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -71.93 -39.87 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 75.04 110.946 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 95' ' ' ARG . 71.4 p -60.94 -46.52 90.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 71.04 111.117 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.636 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -61.37 -34.1 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 61.01 110.892 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -49.13 55.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.862 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.93 -29.47 70.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 62.52 110.883 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -64.47 -35.21 80.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.862 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -38.03 76.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.01 110.865 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.41 -48.03 77.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.869 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.56 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -72.2 -32.69 67.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 61.04 110.872 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.64 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -59.83 -35.61 75.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 60.05 110.921 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.521 ' HG2' HD11 ' A' ' 112' ' ' ILE . 31.7 ttt180 -59.27 -48.89 79.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 71.45 110.874 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.725 ' HA ' HD12 ' A' ' 112' ' ' ILE . 22.1 t0 -55.8 -44.43 77.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 64.21 110.874 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 19' ' ' LEU . 7.0 tp -58.63 -50.6 73.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.921 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.413 HD22 HD11 ' A' ' 118' ' ' LEU . 3.1 mp -63.22 -33.53 75.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.909 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 109' ' ' ASP . 27.8 mt -60.77 -35.74 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.131 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.7 t -73.64 -23.88 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.886 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.464 ' CB ' HD23 ' A' ' 116' ' ' LEU . 13.1 mtm -93.05 -2.45 55.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 74.3 110.868 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 64.25 48.55 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 114' ' ' MET . 4.5 mm? -111.71 161.39 16.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 72.05 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.492 ' C ' HD22 ' A' ' 118' ' ' LEU . . . -97.91 159.4 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.093 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.492 HD22 ' C ' ' A' ' 117' ' ' ALA . 4.5 mm? -121.53 135.76 55.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 60.42 110.929 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -155.81 160.12 31.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 62.32 110.934 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.4 14.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 74.3 112.369 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.52 139.25 53.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 75.12 110.847 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.59 -21.31 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 70.44 110.849 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -110.47 26.45 10.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 61.31 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -122.92 125.01 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.3 110.843 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -96.14 -68.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 73.51 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.97 103.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.851 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -174.25 68.41 0.31 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 65.31 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.38 45.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.268 . . . . 71.2 112.351 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.6 HG23 HD21 ' A' ' 131' ' ' LEU . 12.6 m -64.25 137.94 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.54 111.166 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -78.23 97.42 5.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 61.12 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.6 HD21 HG23 ' A' ' 129' ' ' VAL . 5.7 mt -73.45 -30.63 63.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.43 110.922 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 m -104.41 65.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.23 110.89 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.131 179.869 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.819 0.342 . . . . 64.54 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.0 p -91.25 159.82 15.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 65.3 111.129 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 12' ' ' LEU . 7.9 mt -70.14 153.86 94.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.708 . . . . 60.45 110.892 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -17.43 37.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 75.12 112.328 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -19.87 60.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 43.43 110.832 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.57 -1.26 30.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 60.22 112.482 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.21 149.48 36.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 61.23 110.849 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.98 10.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.664 2.242 . . . . 62.02 112.396 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HG3' HD21 ' A' ' 3' ' ' LEU . 19.4 ttpt -71.01 -56.83 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 61.4 110.94 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -54.2 -45.46 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 61.43 110.843 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -61.57 -34.56 75.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.853 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 3' ' ' LEU . 1.5 mp -73.23 -44.59 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 65.55 110.935 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.43 ' O ' HD13 ' A' ' 23' ' ' ILE . 35.4 mm -55.29 -44.57 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 73.33 111.144 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.927 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.709 ' HB3' HD11 ' A' ' 110' ' ' LEU . 9.0 mtpp -67.52 -51.06 55.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.89 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' A' ' 110' ' ' LEU . 31.9 m-85 -59.08 -24.54 63.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.896 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.3 m -63.91 -22.47 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 41.25 111.123 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.91 -7.85 59.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 60.21 111.101 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.892 HD11 HD22 ' A' ' 110' ' ' LEU . 28.4 mt -104.52 4.02 32.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.03 110.912 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.39 -152.95 21.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.502 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.25 19.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 75.51 112.336 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -61.54 133.48 55.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.918 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -79.6 143.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 75.34 111.104 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -83.81 93.83 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.877 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -52.0 125.25 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 65.51 110.872 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.44 149.35 10.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 60.44 112.49 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -100.49 -43.35 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 75.32 110.919 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 88.3 m -105.71 -62.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.22 110.866 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -86.84 108.66 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.22 110.892 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -94.63 38.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.88 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -132.35 26.01 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 62.21 110.9 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -139.94 160.72 39.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.874 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -131.28 112.75 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.842 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.414 ' O ' HG23 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -93.52 149.06 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 62.41 110.907 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -149.04 138.34 21.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 71.42 110.872 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.88 112.33 25.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 71.41 110.876 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.477 ' C ' HD23 ' A' ' 38' ' ' LEU . 34.0 m -106.69 115.16 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 32.14 110.856 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 37' ' ' CYS . 5.5 mt -111.03 90.05 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.96 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.446 ' HB1' ' HG3' ' A' ' 95' ' ' ARG . . . -81.67 -46.24 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 71.41 111.101 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.856 HG21 HG13 ' A' ' 92' ' ' VAL . 96.9 t -135.64 131.24 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 63.21 111.143 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -90.61 129.67 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 51.23 110.898 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.536 HG12 ' NE1' ' A' ' 54' ' ' TRP . 4.7 m -81.23 -4.59 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.4 111.114 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 71.79 164.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 62.14 110.943 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.0 m -93.63 38.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.1 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -67.25 -58.45 8.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 71.31 110.909 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.3 Cg_endo -69.77 -167.38 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.284 . . . . 73.51 112.306 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -50.14 160.3 0.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 43.41 111.083 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.72 -48.42 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.704 2.269 . . . . 71.21 112.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.19 -9.1 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 65.43 110.852 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 6.4 mtpm? -96.53 17.17 16.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.42 110.873 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -82.6 117.61 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.847 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.484 ' HB3' HD21 ' A' ' 75' ' ' LEU . 1.7 mt-10 -137.93 167.62 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 65.54 110.91 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -127.98 146.47 50.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.536 ' NE1' HG12 ' A' ' 42' ' ' VAL . 72.5 m95 -80.96 129.65 34.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 72.52 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.66 -138.68 2.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.757 . . . . 70.22 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.0 p-90 -170.6 109.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.689 0.28 . . . . 74.2 110.96 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -60.01 137.49 58.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 74.51 110.93 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.628 ' SD ' HD22 ' A' ' 60' ' ' LEU . 4.4 tmm? -113.78 111.73 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 53.32 110.847 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -114.14 112.49 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 75.43 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.628 HD22 ' SD ' ' A' ' 58' ' ' MET . 2.7 pt? -135.19 159.73 40.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 70.21 110.948 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -125.83 110.67 13.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.13 110.883 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.65 114.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 74.15 111.075 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -77.31 169.41 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -49.61 -47.14 49.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.32 110.886 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.82 41.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 70.42 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.506 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 26.3 mtt180 -164.35 -179.45 6.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 74.11 110.85 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.476 ' HD1' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -138.06 166.4 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.886 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 72.1 p -137.13 154.08 50.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 70.03 111.169 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -152.59 161.07 43.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.923 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.98 160.48 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.867 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -122.31 114.33 20.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.96 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.86 140.84 44.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 73.2 110.901 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -92.08 144.22 25.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 64.4 110.874 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.76 -154.07 13.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 35.55 112.478 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.732 HD13 HG21 ' A' ' 85' ' ' VAL . 4.9 tt -135.31 145.53 47.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 64.24 110.954 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -106.1 103.56 13.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 75.1 110.905 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -89.31 -177.45 5.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.87 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -81.08 -25.71 36.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 53.54 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -78.41 -9.65 59.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 65.11 110.89 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.95 18.84 74.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 61.04 112.514 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -97.45 155.52 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 74.31 110.895 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 46.0 p90 -84.63 128.02 34.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.03 110.894 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.3 m -144.93 113.15 6.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 74.5 111.171 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.5 m -69.83 117.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 62.25 111.119 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.732 HG21 HD13 ' A' ' 75' ' ' LEU . 1.8 m -137.1 156.9 75.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.609 0.718 . . . . 71.32 111.149 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.69 43.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 71.11 112.357 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.479 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 40.8 mm -92.66 147.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.23 111.163 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.488 ' CB ' HG21 ' A' ' 92' ' ' VAL . 1.4 m-20 -57.99 -174.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 63.34 110.851 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -47.29 161.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -50.85 -31.28 16.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.31 111.12 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -33.99 52.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.856 HG13 HG21 ' A' ' 40' ' ' VAL . 88.5 t -79.77 -45.24 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 61.31 111.119 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -33.18 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 63.1 111.136 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -62.2 -37.43 85.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 64.2 110.876 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 99' ' ' THR . 20.3 tpp180 -68.51 -35.43 77.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.901 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.55 -35.64 73.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.938 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.464 ' HA ' HD23 ' A' ' 100' ' ' LEU . 16.5 mm-40 -69.43 -40.06 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.8 -36.45 70.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 74.3 110.931 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 95' ' ' ARG . 17.6 p -64.97 -46.46 81.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 75.21 111.142 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.9 OUTLIER -66.81 -33.98 76.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.921 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.53 -44.08 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.913 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.21 -29.49 64.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.898 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -64.99 -36.24 83.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.44 110.933 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -69.96 -32.8 71.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 75.2 110.853 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.13 -48.11 46.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 63.35 110.848 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -62.55 -32.28 73.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.887 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.656 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -69.65 -37.06 76.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 61.53 110.928 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -54.67 -46.07 73.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.547 ' HA ' HD12 ' A' ' 112' ' ' ILE . 35.7 t0 -56.22 -46.42 79.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.85 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.892 HD22 HD11 ' A' ' 19' ' ' LEU . 9.2 tp -58.64 -51.34 70.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.53 110.857 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.569 ' CD2' HD23 ' A' ' 118' ' ' LEU . 2.0 mp -61.84 -30.98 71.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 44.14 110.943 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.1 mt -68.02 -30.08 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 73.13 111.123 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.3 t -74.27 -23.38 59.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 61.13 110.845 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.523 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -108.71 1.89 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 64.31 110.871 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 58.53 43.05 19.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 70.22 110.892 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 114' ' ' MET . 2.4 mm? -102.42 125.49 49.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.906 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.506 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -89.04 134.64 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.1 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 111' ' ' LEU . 4.3 pp -116.92 140.62 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.942 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -147.24 159.88 41.08 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 61.33 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.01 15.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 72.21 112.366 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.37 130.27 40.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.904 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -58.86 -22.04 58.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 71.41 110.869 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -95.77 26.2 4.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -130.34 128.51 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.876 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -81.28 -179.6 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 65.3 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -92.59 132.74 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -153.99 73.07 6.43 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 63.41 110.874 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.82 68.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 74.14 112.311 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 131' ' ' LEU . 8.5 m -113.43 146.88 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.117 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -83.19 97.49 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 62.31 110.885 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 129' ' ' VAL . 4.1 mm? -73.6 -36.24 65.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.929 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 t -97.27 61.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 73.14 110.879 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' ' 130' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.12 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ptp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 70.11 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.8 p -76.88 159.54 29.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 52.01 111.167 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.65 153.74 92.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 54.13 110.959 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -17.38 37.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 42.34 112.323 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.57 -18.85 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.24 110.86 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.57 1.15 30.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 55.45 112.497 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.6 151.77 39.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 65.34 110.837 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.601 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.78 124.9 11.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.677 2.251 . . . . 45.3 112.333 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -69.73 -47.28 63.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.02 110.91 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.6 p -57.57 -43.3 84.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -39.84 93.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 73.44 110.868 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.763 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.8 mm? -64.24 -49.08 73.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 43.51 110.904 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 ' HB ' ' A' ' 23' ' ' ILE . 49.6 mm -61.52 -44.01 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 53.21 111.14 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -67.84 -39.74 83.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 73.33 110.89 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HB3' HD11 ' A' ' 110' ' ' LEU . 11.6 mtpp -65.5 -50.14 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.34 110.875 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' A' ' 12' ' ' LEU . 17.5 m-85 -59.01 -30.54 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.9 m -58.79 -21.57 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 54.22 111.17 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.71 -7.0 58.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.11 111.063 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.696 ' CD1' HD22 ' A' ' 110' ' ' LEU . 41.5 mt -104.0 -5.27 22.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 61.33 110.925 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.46 -151.11 11.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 72.33 112.468 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.02 19.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 64.11 112.318 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -61.87 132.28 52.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 63.14 110.941 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.9 mp -78.08 143.28 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.139 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -81.86 94.84 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.901 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.26 162.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.864 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.21 -174.11 22.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 42.03 112.48 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -119.69 44.99 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 75.4 110.973 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.6 m 58.28 41.36 23.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 51.13 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -111.91 -37.55 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.882 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -135.35 156.31 49.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.846 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -102.04 26.15 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 61.45 110.89 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -110.3 160.88 16.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.31 110.86 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -108.52 137.79 45.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.863 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 23' ' ' ILE . 5.6 m-85 -97.88 148.95 22.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 61.54 110.876 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -149.59 146.78 27.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.911 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.54 112.73 24.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 53.32 110.901 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.51 101.07 10.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 65.34 110.906 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.5 mt -111.02 120.06 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.53 110.922 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 95' ' ' ARG . . . -121.04 -50.56 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 63.11 111.123 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -147.06 143.33 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.24 111.143 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -75.74 135.14 40.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.579 HG21 HD21 ' A' ' 75' ' ' LEU . 86.2 t -64.07 -51.3 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 72.15 111.063 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -173.36 162.25 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.914 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 44' ' ' VAL . 9.2 p -127.77 0.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 63.43 111.116 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.2 mtpp -51.16 -58.11 11.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.539 0.685 . . . . 74.53 110.892 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.2 Cg_endo -69.85 177.92 5.15 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.666 2.244 . . . . 70.51 112.311 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.67 159.94 1.17 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 54.24 111.127 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.76 -23.8 30.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 62.51 112.284 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.03 -25.76 40.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.889 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -96.81 17.12 17.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.888 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -75.01 153.25 38.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.642 ' HB3' HD11 ' A' ' 75' ' ' LEU . 54.2 mt-10 -137.08 156.8 47.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.87 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.28 166.85 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 72.03 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.479 ' CE2' HG22 ' A' ' 42' ' ' VAL . 73.2 m95 -103.73 159.84 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.97 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.43 -174.39 40.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 64.54 112.47 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -135.25 125.42 26.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.754 0.312 . . . . 70.2 110.902 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -68.95 135.94 51.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.925 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.472 ' SD ' HD22 ' A' ' 60' ' ' LEU . 4.4 tmm? -115.92 112.66 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.25 110.869 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -113.66 123.73 50.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 64.13 110.871 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.472 HD22 ' SD ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -127.78 146.64 50.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 72.4 110.902 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -125.45 111.46 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.917 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.8 112.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 61.34 111.06 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.16 174.43 10.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 71.01 110.944 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -48.97 -48.49 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.861 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.71 21.02 1.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 62.45 110.899 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.506 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 58.9 mtm180 -142.35 -179.56 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 74.44 110.904 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.75 144.62 43.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.949 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -141.27 139.94 33.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 73.45 111.139 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -127.19 171.75 11.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.951 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -144.04 160.61 40.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 54.03 110.874 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -128.5 123.92 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 63.11 110.948 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -135.64 138.06 42.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.945 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -91.74 151.5 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.923 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.9 -158.87 31.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 71.15 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -108.66 129.78 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 51.24 110.911 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.599 ' N ' HD13 ' A' ' 75' ' ' LEU . 71.6 t80 -105.95 95.27 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 63.23 110.918 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 172.88 9.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.825 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -81.4 -20.59 40.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.902 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.12 -9.69 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 62.14 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.69 18.54 79.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 64.24 112.501 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -77.18 157.2 31.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 75.42 110.892 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -100.26 121.61 41.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.0 m -145.77 116.13 7.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.03 111.179 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 84' ' ' VAL . 17.2 m -91.64 120.82 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 71.45 111.139 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.427 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 1.9 m -143.17 133.1 11.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.669 0.747 . . . . 72.45 111.073 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 137.37 35.4 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.676 2.251 . . . . 65.22 112.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 mt -97.63 112.41 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.53 111.109 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -99.07 89.99 4.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.24 102.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 54.32 110.86 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 t -52.55 -28.16 19.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.149 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.73 -42.44 86.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -79.45 -32.04 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 74.24 111.134 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -33.46 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 64.42 111.116 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.3 -33.79 71.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 71.23 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.514 ' CG ' ' HB1' ' A' ' 39' ' ' ALA . 25.2 tpp180 -71.36 -43.63 66.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.834 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.86 -41.59 95.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.953 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.401 ' HA ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -68.89 -40.46 79.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.14 110.864 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -71.6 -36.35 70.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 75.15 110.918 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 95' ' ' ARG . 12.2 p -66.12 -46.91 75.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 62.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -67.42 -34.35 77.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.881 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -44.41 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.888 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.94 -28.94 62.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.84 -35.3 70.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.14 110.853 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -70.28 -32.35 70.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.42 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.48 -48.33 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.91 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.74 -31.9 70.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 61.13 110.913 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -35.48 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.3 110.851 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -54.39 -50.63 67.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 74.45 110.87 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -56.09 -46.62 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 51.33 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 19' ' ' LEU . 10.1 tp -59.63 -51.06 71.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.91 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.455 HD13 ' HG ' ' A' ' 118' ' ' LEU . 67.9 mt -62.38 -32.07 72.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 71.34 110.924 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.3 mt -68.49 -29.85 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 62.2 111.122 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.9 t -73.45 -24.65 60.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.841 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.584 ' HB2' HD23 ' A' ' 116' ' ' LEU . 10.4 ptp -103.58 -0.8 29.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.879 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 63.82 34.96 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 61.13 110.875 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.0 mm? -102.31 128.3 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 73.42 110.905 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.506 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -85.39 159.63 19.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 73.0 111.09 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.455 ' HG ' HD13 ' A' ' 111' ' ' LEU . 17.7 mt -99.71 143.06 30.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 64.03 110.912 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -152.57 160.26 31.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 75.23 110.887 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 170.76 15.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 72.34 112.336 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m -112.26 -175.29 2.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.67 -23.55 39.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.66 26.38 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 53.52 110.867 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -91.11 108.58 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.902 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -99.65 -171.39 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.868 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -97.18 -176.18 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 72.43 110.868 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 54.07 68.28 2.89 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.57 0.7 . . . . 74.4 110.888 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.79 55.72 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 51.33 112.334 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.27 127.19 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 70.24 111.181 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -66.99 97.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.902 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.8 mt -73.55 -29.6 62.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.963 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -99.37 44.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 62.35 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 65.33 111.1 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 72.41 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.7 p -80.93 159.7 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 72.24 111.122 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.464 HD11 HD22 ' A' ' 12' ' ' LEU . 7.1 mt -68.98 153.91 95.6 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.592 0.71 . . . . 64.24 110.915 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -18.04 37.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 53.21 112.353 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -19.74 60.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 53.41 110.841 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.53 -1.44 30.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 63.32 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.06 150.37 38.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 73.02 110.855 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 124.11 10.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 61.13 112.361 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -71.11 -57.19 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.873 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 m -54.07 -45.17 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 51.03 110.863 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -61.64 -35.53 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 63.04 110.864 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 3' ' ' LEU . 1.4 mp -73.72 -40.87 63.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 63.32 110.904 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 23' ' ' ILE . 27.4 mm -55.03 -47.76 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 41.53 111.147 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.74 -33.69 75.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.15 110.867 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.786 ' HB3' HD11 ' A' ' 110' ' ' LEU . 11.5 mttt -65.32 -53.45 43.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 63.31 110.915 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -59.05 -27.03 65.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.875 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.1 m -59.54 -21.64 60.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 41.15 111.159 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.29 -7.55 59.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.34 111.104 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.69 HD13 HD22 ' A' ' 107' ' ' LEU . 23.7 mt -104.4 4.2 33.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.936 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.56 -151.5 19.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 65.22 112.455 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.42 19.01 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.724 2.283 . . . . 73.44 112.316 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.12 134.24 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.919 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.528 HD13 ' O ' ' A' ' 13' ' ' ILE . 5.1 mp -82.75 145.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 70.33 111.168 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -83.86 93.5 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 55.34 110.872 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -91.1 -176.83 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.44 110.901 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.17 174.27 46.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 74.01 112.485 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -113.85 36.89 3.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.327 . . . . 72.33 110.917 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.6 m -95.52 -176.5 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 52.24 110.896 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -52.57 168.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 71.4 110.894 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -52.58 126.75 20.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.883 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -146.36 176.95 9.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -105.62 151.45 24.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.865 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -59.31 153.34 19.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -133.94 145.68 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.881 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -139.12 116.41 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 64.11 110.834 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -107.78 109.01 20.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 73.11 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -110.13 154.45 23.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 55.12 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 38' ' ' LEU . 12.0 mt -111.63 89.49 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.925 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.53 -72.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.09 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 t -145.73 150.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 45.53 111.154 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.6 p -82.07 143.0 31.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 71.42 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.499 HG12 ' OD1' ' A' ' 43' ' ' ASN . 21.9 t -59.09 -45.44 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 53.11 111.137 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.499 ' OD1' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -178.58 174.63 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 64.41 110.838 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.515 HG12 ' HE ' ' A' ' 51' ' ' ARG . 32.7 m -120.1 16.0 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 54.41 111.109 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -66.96 -58.45 9.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 73.44 110.913 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.3 Cg_endo -69.81 -173.59 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 75.23 112.305 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -75.57 160.09 80.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 74.34 111.12 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.77 -23.99 30.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 75.45 112.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.59 -25.42 49.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 72.5 110.91 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -104.71 -14.05 15.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.865 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HE ' HG12 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -51.72 137.18 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.851 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.486 ' HB3' HD11 ' A' ' 75' ' ' LEU . 12.8 mt-10 -113.42 156.54 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.853 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -134.21 150.08 51.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.11 110.871 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.67 ' CD1' HG11 ' A' ' 92' ' ' VAL . 59.6 m95 -80.42 135.03 36.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.961 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.99 178.23 17.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 61.52 112.466 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -62.22 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 73.14 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 64.37 82.66 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 64.45 110.944 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.536 ' SD ' HD22 ' A' ' 60' ' ' LEU . 6.7 tmm? -122.99 117.34 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 72.11 110.859 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -110.28 119.57 39.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 62.21 110.899 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.536 HD22 ' SD ' ' A' ' 58' ' ' MET . 2.4 pt? -134.31 159.07 42.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -130.94 111.4 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.51 134.21 40.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.1 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -98.96 -177.79 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 75.13 110.955 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.09 -51.0 57.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.13 110.87 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 26.87 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.31 110.856 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -144.24 172.11 13.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 74.15 110.899 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.33 151.65 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 63.42 110.901 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.5 t -124.78 156.47 37.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 65.23 111.155 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -150.32 149.3 29.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 64.03 110.891 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -140.97 160.06 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 53.25 110.876 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.1 104.71 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.919 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -135.19 146.78 49.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 54.31 110.909 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -115.08 138.43 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 64.13 110.878 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.24 172.98 20.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.688 -0.768 . . . . 54.35 112.462 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.515 HD13 HG11 ' A' ' 85' ' ' VAL . 2.5 tt -145.59 145.96 31.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 73.04 110.929 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -96.85 119.58 35.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.35 110.91 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -97.98 -175.98 3.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -58.05 -22.85 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 71.4 110.927 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -106.48 -10.61 16.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 64.11 110.867 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.09 9.01 59.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 73.42 112.526 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 155.38 32.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 74.11 110.889 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -52.7 121.79 7.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.945 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -141.18 106.38 5.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.106 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 84' ' ' VAL . 14.7 m -68.42 115.99 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.139 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.515 HG11 HD13 ' A' ' 75' ' ' LEU . 7.3 p -147.05 133.38 9.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 72.43 111.121 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.1 Cg_endo -69.78 142.61 48.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 54.13 112.32 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.523 ' HB ' HG23 ' A' ' 93' ' ' VAL . 40.0 mm -70.78 114.99 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 53.52 111.143 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -84.57 156.09 21.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.914 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 63.42 105.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.914 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -53.8 -29.33 40.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.24 111.138 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -56.59 -39.09 72.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.55 110.888 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.67 HG11 ' CD1' ' A' ' 54' ' ' TRP . 85.0 t -78.93 -43.87 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 62.54 111.166 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.523 HG23 ' HB ' ' A' ' 87' ' ' ILE . 0.4 OUTLIER -52.65 -33.31 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 75.24 111.112 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -62.46 -31.5 72.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.899 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 99' ' ' THR . 23.2 tpp180 -74.51 -36.59 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.869 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.8 -42.68 69.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.916 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.754 ' HA ' HD23 ' A' ' 100' ' ' LEU . 2.8 mm-40 -66.43 -40.16 89.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 60.33 110.887 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -70.82 -38.49 73.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.982 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 95' ' ' ARG . 11.2 p -66.13 -25.33 66.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 63.04 111.094 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.4 OUTLIER -74.13 -34.87 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.928 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.67 ' HG3' HD11 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -72.8 -49.69 28.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 62.54 110.879 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -58.67 -29.34 66.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -71.99 -38.87 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.35 110.874 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -56.9 -32.72 66.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 72.34 110.848 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.58 -47.74 45.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.857 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -67.3 -32.54 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.886 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.69 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.09 -37.83 88.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.905 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -54.81 -45.67 74.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.496 ' HA ' HD12 ' A' ' 112' ' ' ILE . 19.2 t70 -55.99 -46.79 78.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.884 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.786 HD11 ' HB3' ' A' ' 15' ' ' LYS . 30.0 tp -59.42 -50.85 72.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.882 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.632 HD23 HD22 ' A' ' 118' ' ' LEU . 2.1 mp -61.92 -30.93 71.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 65.55 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 109' ' ' ASP . 18.5 mt -68.18 -30.41 47.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 72.31 111.127 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -22.43 59.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 61.35 110.874 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.679 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -108.93 -0.19 19.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 62.23 110.865 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 59.41 44.87 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.5 mm? -102.06 132.77 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 60.24 110.91 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.85 159.94 30.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 55.24 111.128 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.632 HD22 HD23 ' A' ' 111' ' ' LEU . 4.5 mm? -100.65 143.16 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 62.32 110.897 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -127.73 153.61 77.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.644 0.735 . . . . 71.53 110.886 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.15 14.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.727 2.284 . . . . 74.32 112.331 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 t -88.64 136.56 32.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.916 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -56.61 -24.91 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.89 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -103.32 25.87 9.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.897 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -91.5 118.62 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.897 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -121.97 41.87 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 41.35 110.859 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 55.42 42.23 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.866 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -150.13 72.75 9.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.67 0.748 . . . . 74.51 110.903 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.28 62.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.234 . . . . 45.5 112.349 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.52 HG11 ' OE2' ' A' ' 97' ' ' GLU . 31.1 m -61.05 133.63 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.21 111.129 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 111.15 22.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.02 110.927 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.67 HD11 ' HG3' ' A' ' 101' ' ' ARG . 7.3 mt -72.61 -35.05 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 72.14 110.936 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.3 m -76.97 64.62 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 43.02 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 60.32 111.108 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.89 0.376 . . . . 73.24 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -81.01 159.81 24.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 75.14 111.122 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.39 153.86 95.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.721 . . . . 73.24 110.945 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -18.62 37.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 72.2 112.337 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -19.16 59.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 60.54 110.862 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.47 -0.48 30.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 70.45 112.531 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 153.64 40.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.572 0.701 . . . . 71.23 110.88 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.664 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.8 Cg_endo -69.75 124.76 11.4 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 61.23 112.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -69.78 -51.51 33.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.04 110.902 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -54.81 -44.81 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.847 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -62.13 -41.88 98.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 75.21 110.862 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.721 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.8 mm? -60.83 -41.98 96.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.895 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.83 -48.27 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 74.12 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -65.03 -37.2 86.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.922 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HB3' HD11 ' A' ' 110' ' ' LEU . 10.1 mttm -66.82 -52.11 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.882 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.721 ' CE2' HD12 ' A' ' 12' ' ' LEU . 11.7 m-85 -58.96 -28.83 66.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 50.53 110.863 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.8 m -58.89 -21.73 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.142 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.76 -7.16 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 53.41 111.073 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.712 HD13 HD22 ' A' ' 107' ' ' LEU . 28.4 mt -102.65 4.13 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.54 110.926 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.99 -148.05 14.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 54.33 112.49 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.14 19.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 73.22 112.324 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -61.63 125.07 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.957 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.8 mp -72.29 141.0 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.14 111.091 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 93.73 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.884 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -95.62 177.19 5.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.892 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.71 97.9 0.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 50.22 112.472 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -152.16 141.16 21.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 62.11 110.893 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.8 t -52.25 -31.7 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 54.14 110.866 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -139.37 51.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 65.54 110.879 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.2 95.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 52.41 110.843 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -112.89 -27.8 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 62.05 110.83 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -125.22 160.98 27.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -113.03 110.74 20.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 75.11 110.932 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -102.86 132.18 49.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.904 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -118.68 124.96 48.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.886 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.28 112.05 24.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 54.51 110.843 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -107.23 146.23 31.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.909 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 mt -92.06 116.56 29.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 60.23 110.872 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.03 -68.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 53.31 111.13 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -144.16 146.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.8 m -68.77 156.65 37.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 52.22 110.871 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 52' ' ' GLU . 92.9 t -70.11 -23.77 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.111 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.7 t30 64.85 96.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.896 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.476 HG12 ' H ' ' A' ' 45' ' ' LYS . 1.4 t -141.37 168.72 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 50.12 111.148 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.533 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 12.3 mtmt -48.12 -57.85 9.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 75.34 110.927 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.5 Cg_endo -69.8 152.37 69.06 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 62.21 112.306 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.47 159.87 1.1 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 73.02 111.14 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.71 -23.69 30.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 74.41 112.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -63.16 -23.2 67.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.877 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -106.42 1.15 25.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 63.41 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' CD ' HG21 ' A' ' 44' ' ' VAL . 2.0 tpt180 -121.57 159.95 25.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 71.23 110.855 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.2 mt-10 -86.38 166.98 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.842 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -120.45 167.39 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 70.21 110.9 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -80.91 142.39 33.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.949 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.94 119.62 0.64 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.501 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -76.65 147.1 37.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 75.51 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -118.48 116.9 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.41 ' SD ' HD22 ' A' ' 60' ' ' LEU . 9.8 tmm? -103.67 112.72 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 54.24 110.879 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.92 119.89 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.876 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.41 HD22 ' SD ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -117.83 159.19 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 72.53 110.921 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -131.15 112.46 12.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.878 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.69 116.83 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.42 111.087 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -77.38 -178.58 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.912 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -50.17 -54.89 17.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 51.43 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.4 12.76 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.32 110.892 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.772 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 24.0 ptt180 -137.49 -179.49 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.899 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.498 ' HD1' HD22 ' A' ' 116' ' ' LEU . 1.9 m-85 -130.98 147.45 52.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.85 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t -122.16 146.58 47.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.11 111.124 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.7 ' CE1' HD11 ' A' ' 111' ' ' LEU . 39.9 m-85 -135.33 161.08 36.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 65.43 110.904 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -152.68 160.71 43.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 61.24 110.873 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -111.16 110.93 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 63.3 110.936 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -135.89 124.9 24.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.913 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -92.0 165.88 12.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 71.52 110.884 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 174.32 -147.73 9.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 41.33 112.512 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 tt -133.12 146.07 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 74.5 110.934 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -103.99 110.15 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 62.43 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -95.18 -176.84 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 71.44 110.889 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -23.16 47.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.34 110.915 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.9 -9.94 59.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.929 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.34 21.59 75.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 73.33 112.449 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -94.92 159.35 15.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 74.32 110.855 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -88.3 131.76 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.66 131.83 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 63.34 111.128 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.9 m -69.79 119.77 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.106 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 t -143.82 133.06 11.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 73.23 111.112 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 141.1 44.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 53.11 112.346 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 25.5 mm -88.62 153.61 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 75.11 111.114 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -172.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.03 168.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.901 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 t -51.0 -27.83 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 71.13 111.15 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.59 -42.92 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.45 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -80.76 -48.37 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 70.54 111.118 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -33.49 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.125 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.26 -36.29 77.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -73.23 -31.45 64.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 75.41 110.882 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.1 mt -70.79 -34.7 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.95 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.529 ' HA ' HD23 ' A' ' 100' ' ' LEU . 46.1 mm-40 -65.13 -34.28 78.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.917 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -71.73 -41.39 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 74.4 110.922 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -46.64 89.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 75.12 111.129 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -66.25 -34.12 77.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 65.14 110.919 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -43.6 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.9 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.47 -29.38 64.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 73.01 110.883 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -71.4 -39.63 71.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 54.13 110.854 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -70.76 -32.57 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.886 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.48 -48.52 74.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.459 ' HG3' HD22 ' A' ' 19' ' ' LEU . 11.1 ptmt -69.54 -31.82 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 72.4 110.901 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.712 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -58.86 -35.53 73.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.922 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.44 ' HG2' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -58.91 -46.76 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 60.23 110.839 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.407 ' HA ' HD12 ' A' ' 112' ' ' ILE . 6.1 t70 -56.07 -45.93 79.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 64.04 110.884 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 19' ' ' LEU . 22.0 tp -58.85 -49.97 75.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 54.23 110.901 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' A' ' 69' ' ' TYR . 58.2 mt -64.24 -37.38 87.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 54.43 110.911 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.44 HD11 ' HG2' ' A' ' 108' ' ' ARG . 25.9 mt -60.73 -38.73 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.45 111.127 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -21.08 60.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 63.11 110.842 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.506 ' HB3' HD12 ' A' ' 116' ' ' LEU . 5.9 mtm -94.54 -7.75 40.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 63.05 110.893 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 58.34 42.9 20.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.837 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.506 HD12 ' HB3' ' A' ' 114' ' ' MET . 0.8 OUTLIER -103.2 173.76 6.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.935 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.772 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -96.45 141.46 29.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.02 111.073 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.579 HD22 HD12 ' A' ' 111' ' ' LEU . 32.8 tp -129.52 112.58 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 75.2 110.876 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -127.16 157.29 72.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 71.21 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 171.37 14.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 53.51 112.305 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.2 t -76.74 136.9 39.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.87 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -58.74 -22.18 57.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.879 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -97.13 25.99 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -116.21 107.71 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -101.53 -73.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 65.52 110.873 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -162.28 110.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -174.8 71.34 0.3 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.72 . . . . 71.45 110.9 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 152.54 69.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 72.42 112.407 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.575 HG23 ' CD1' ' A' ' 131' ' ' LEU . 18.7 m -104.09 131.31 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 62.21 111.123 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -79.93 97.49 6.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 53.53 110.859 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' A' ' 129' ' ' VAL . 10.4 mp -73.64 -30.94 63.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.892 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.8 m -102.14 49.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 62.04 110.864 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 74.43 111.152 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.85 0.357 . . . . 74.02 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.4 p -128.6 160.69 31.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 73.53 111.15 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.841 HD11 HD22 ' A' ' 12' ' ' LEU . 5.4 mt -64.39 153.76 85.53 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.597 0.713 . . . . 73.11 110.949 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -17.16 37.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 62.4 112.38 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -77.51 -19.18 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 62.33 110.854 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.69 3.37 30.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.793 -0.718 . . . . 61.22 112.504 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.552 ' HB3' HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -94.66 144.37 27.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 71.25 110.853 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.465 ' O ' HD13 ' A' ' 12' ' ' LEU . 53.2 Cg_endo -69.77 124.55 11.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 64.04 112.365 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -70.86 -54.46 11.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 65.4 110.895 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 m -54.33 -45.13 72.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 61.44 110.915 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -61.73 -35.07 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 72.52 110.885 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.841 HD22 HD11 ' A' ' 3' ' ' LEU . 3.0 mp -70.39 -43.89 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mm -55.59 -42.99 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 65.14 111.138 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -67.7 -43.63 79.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 62.15 110.935 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' HD2' HD11 ' A' ' 110' ' ' LEU . 2.7 mtmp? -62.51 -47.18 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.05 110.936 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.05 -29.94 67.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.14 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 m -65.06 -21.4 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 44.31 111.147 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.78 -7.59 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.4 111.125 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.915 HD11 HD22 ' A' ' 110' ' ' LEU . 14.3 mt -104.67 4.33 32.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 71.44 110.854 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . 162.99 -145.7 10.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 64.25 112.453 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 53.5 Cg_endo -69.77 167.4 24.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 70.24 112.355 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -62.69 145.92 53.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 62.52 110.933 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.8 mp -94.84 143.4 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 74.44 111.131 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -71.9 93.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -100.32 111.57 23.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 52.12 110.912 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.23 -178.66 15.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.722 . . . . 62.32 112.458 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -66.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 72.22 110.886 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.3 p -124.88 -41.01 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.55 110.867 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.88 124.07 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.904 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -166.26 135.76 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.881 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -113.57 -70.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 71.14 110.849 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -112.0 161.05 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 45.12 110.859 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -79.74 132.85 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 65.42 110.882 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 23' ' ' ILE . 66.9 t80 -93.19 149.29 21.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.858 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -150.39 116.48 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.43 110.845 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -107.2 112.39 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 70.21 110.848 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.9 t -106.77 144.04 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.868 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD22 ' CD2' ' A' ' 53' ' ' PHE . 48.2 mt -110.98 132.12 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.897 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.65 -55.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 74.52 111.094 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -149.21 146.31 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 11.5 t -89.49 108.49 19.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 62.14 110.918 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -81.69 -22.26 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 52.54 111.086 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -113.88 94.56 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 51.31 110.917 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.62 -32.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 54.34 111.153 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.537 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 3.7 mtpm? -50.35 -57.95 11.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 74.42 110.933 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.9 Cg_endo -69.77 -170.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 73.4 112.358 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -69.01 159.53 82.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.564 0.697 . . . . 33.12 111.094 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.79 -23.34 30.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 51.4 112.349 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.39 -21.22 65.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.57 17.42 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 61.14 110.902 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -57.81 153.4 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 74.4 110.827 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -137.03 144.41 43.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.942 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CD2' HD22 ' A' ' 38' ' ' LEU . 5.7 m-85 -124.06 152.78 42.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.858 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.607 ' CD1' HG11 ' A' ' 92' ' ' VAL . 19.4 m95 -87.62 128.33 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 73.32 110.933 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.34 163.62 32.55 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 51.42 112.527 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -114.07 117.25 30.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 73.23 110.866 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -57.94 154.7 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.33 110.938 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.5 ttt -139.05 112.45 8.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.852 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -113.48 113.24 24.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.21 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 pp -134.64 159.46 41.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 75.31 110.9 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -137.85 112.25 8.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.939 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . . . -51.09 115.01 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.23 111.116 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.6 -178.28 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 73.53 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.67 -64.72 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.842 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.73 41.46 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.854 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.757 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 9.7 ptp180 -169.46 -179.5 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.12 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -137.92 164.25 29.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 61.1 110.887 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.8 t -141.41 164.32 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 54.31 111.111 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -150.85 143.77 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.925 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -119.47 158.4 26.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.871 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -121.49 107.98 13.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.909 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -135.83 131.4 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 73.03 110.881 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -91.91 152.21 20.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 65.25 110.904 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.08 -136.82 2.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.771 -0.728 . . . . 72.21 112.491 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 tt -145.21 143.45 30.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 75.55 110.932 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -100.19 117.11 33.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.23 110.872 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.47 -175.86 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 64.23 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -80.58 -29.49 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 63.14 110.914 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.97 -8.26 17.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.901 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.69 19.72 26.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 74.52 112.515 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -70.42 124.7 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 72.2 110.902 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -76.64 121.21 22.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 71.53 110.894 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.0 m -145.87 109.28 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 62.42 111.165 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 84' ' ' VAL . 13.5 m -66.11 114.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 73.55 111.084 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.4 m -129.97 152.52 80.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.656 0.741 . . . . 62.21 111.133 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.13 53.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.701 2.267 . . . . 70.53 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.84 HG21 HG23 ' A' ' 93' ' ' VAL . 43.0 mm -97.18 114.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 71.23 111.091 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -96.73 149.21 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.867 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 64.02 107.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 t -56.49 -28.09 58.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 63.32 111.17 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -53.37 -34.99 59.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.869 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.607 HG11 ' CD1' ' A' ' 54' ' ' TRP . 98.0 t -81.04 -33.46 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.42 111.139 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.84 HG23 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -70.34 -34.47 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.43 111.088 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -27.28 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 55.34 110.864 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 99' ' ' THR . 22.5 tpp180 -69.48 -38.3 77.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.882 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.57 -35.3 73.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.2 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.51 -43.59 79.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.865 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -72.12 -41.89 66.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.907 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 95' ' ' ARG . 61.9 p -61.29 -47.1 87.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 65.4 111.122 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.419 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.3 pp -70.7 -34.78 72.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.939 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.2 -45.92 72.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 73.1 110.849 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.92 -29.04 62.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 52.32 110.936 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 107' ' ' LEU . 37.9 t80 -57.81 -35.84 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.867 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -70.07 -32.48 70.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.849 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.36 -48.23 82.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 62.04 110.887 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -73.16 -32.13 64.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 60.22 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.73 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -60.67 -35.64 76.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.953 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -61.84 -42.4 98.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 65.22 110.833 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 112' ' ' ILE . 37.9 t70 -55.87 -46.57 78.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.871 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.915 HD22 HD11 ' A' ' 19' ' ' LEU . 57.9 tp -59.98 -50.4 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.913 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.542 ' CD2' HD13 ' A' ' 118' ' ' LEU . 6.5 mp -62.75 -32.71 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.952 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.9 mt -66.72 -36.35 77.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 72.34 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -73.24 -25.12 60.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 61.11 110.842 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.637 ' HB3' HD23 ' A' ' 116' ' ' LEU . 3.9 mtm -93.77 -8.41 40.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 63.01 110.876 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 64.6 42.51 4.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.871 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.637 HD23 ' HB3' ' A' ' 114' ' ' MET . 3.8 mm? -105.48 135.55 46.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.897 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.757 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -62.94 156.23 25.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 71.4 111.103 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.542 HD13 ' CD2' ' A' ' 111' ' ' LEU . 28.4 tp -129.15 140.39 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 53.44 110.886 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.24 157.88 31.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 74.1 110.886 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 171.15 14.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 74.14 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 p -73.64 153.71 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 70.22 110.854 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.4 -22.21 64.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 64.41 110.834 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -95.82 26.18 4.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 65.3 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -106.19 107.56 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.5 110.923 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -110.8 -74.38 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.915 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -154.78 -179.15 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.896 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.16 68.36 1.87 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 61.3 110.916 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.87 55.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 63.23 112.348 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.7 p -55.73 123.16 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 71.24 111.108 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -67.54 97.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 54.14 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.9 mt -73.7 -26.54 60.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.934 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -92.45 52.08 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 60.34 110.851 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 65.13 111.068 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mmm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.808 0.337 . . . . 73.54 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.8 p -76.87 159.91 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.11 111.159 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.432 HD11 ' HG ' ' A' ' 12' ' ' LEU . 7.1 mt -70.77 154.23 94.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 63.54 110.915 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -18.77 36.96 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.669 2.246 . . . . 63.54 112.343 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -74.72 -19.36 60.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 50.34 110.86 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.33 0.85 31.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 74.1 112.484 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.87 149.6 37.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.721 . . . . 72.42 110.867 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.608 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.79 125.13 11.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 52.41 112.341 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -49.55 57.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.912 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -55.23 -32.8 62.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 52.33 110.837 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.43 -46.45 22.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.886 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.797 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.3 mm? -58.41 -47.05 85.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 60.3 110.882 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mm -59.03 -44.84 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 40.44 111.11 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -41.25 83.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.921 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.745 ' HB3' HD11 ' A' ' 110' ' ' LEU . 31.6 mttm -64.52 -49.8 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.859 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.797 ' CE2' HD12 ' A' ' 12' ' ' LEU . 16.3 m-85 -58.97 -29.63 67.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 64.41 110.859 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -61.76 -21.73 64.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 63.32 111.171 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.02 -8.15 59.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 50.34 111.169 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.822 HD11 HD22 ' A' ' 110' ' ' LEU . 36.0 mt -105.05 3.7 30.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 65.33 110.909 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.1 -151.14 17.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 73.53 112.462 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.5 21.37 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.273 . . . . 53.5 112.325 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -62.39 124.05 19.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 64.51 110.896 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.8 mp -74.99 134.76 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 73.31 111.15 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -80.39 93.6 6.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.856 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 165.97 24.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.869 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.89 -163.24 31.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 64.14 112.474 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -128.69 80.64 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 74.1 110.901 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.1 m 56.02 28.51 12.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.872 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -118.6 137.06 53.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.34 110.894 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -67.22 121.51 15.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.843 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -173.49 176.89 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.885 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -98.1 154.67 17.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 75.22 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -61.43 156.42 19.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.913 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.7 t80 -113.9 126.6 55.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.12 110.856 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -128.29 120.79 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 74.42 110.843 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -106.96 111.87 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.04 110.828 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -107.15 127.37 53.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 70.33 110.856 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.6 mt -110.96 105.49 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 72.3 110.97 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.18 -55.45 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 50.3 111.123 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.05 149.8 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.077 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.75 134.41 34.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 52' ' ' GLU . 6.6 p -81.39 -27.35 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 71.34 111.185 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -174.78 119.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 33.31 110.879 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' VAL . 9.1 t -125.89 -1.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.11 111.081 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.652 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 18.9 mttt -65.99 -51.74 44.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 74.31 110.905 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.5 Cg_endo -69.81 179.13 3.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 61.11 112.346 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.46 159.97 1.08 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.69 . . . . 74.13 111.141 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.3 Cg_endo -69.73 -24.0 30.31 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.688 2.258 . . . . 75.12 112.39 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -63.68 -25.6 68.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.908 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -111.68 17.05 20.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.909 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -88.35 128.7 35.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.03 110.832 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.585 ' O ' HG12 ' A' ' 42' ' ' VAL . 31.5 mt-10 -137.06 163.66 30.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 73.5 110.878 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -131.0 166.25 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 65.12 110.905 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.548 ' CZ3' HD13 ' A' ' 87' ' ' ILE . 27.2 m95 -90.62 159.63 16.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.941 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.8 151.1 6.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 72.13 112.463 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 -103.38 120.13 40.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.744 0.307 . . . . 71.32 110.978 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 22.3 m0 -54.44 134.55 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 75.31 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.446 ' SD ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -121.61 112.1 18.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.03 110.909 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.02 124.25 51.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 72.45 110.902 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.786 HD13 ' CE2' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -134.56 148.42 50.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.916 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -137.93 114.97 10.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 75.02 110.865 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.37 113.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.078 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 1.8 mm100 -77.62 -174.4 3.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.912 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.417 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 1.9 tt0 -51.32 -57.85 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -138.6 26.88 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.886 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.782 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 21.9 ptt180 -152.02 -179.57 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.886 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -127.18 151.52 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.879 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -141.69 138.47 32.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 61.1 111.114 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.786 ' CE2' HD13 ' A' ' 60' ' ' LEU . 17.6 m-85 -126.18 171.22 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.01 110.885 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -142.38 144.36 33.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 74.21 110.896 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -113.9 110.7 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.939 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -129.22 143.83 51.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -91.73 138.62 31.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.05 110.852 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.74 -142.08 3.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 65.24 112.483 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.949 HD13 HG11 ' A' ' 85' ' ' VAL . 2.7 tp -145.52 145.83 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 62.44 110.897 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -121.81 110.65 16.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.22 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.56 169.98 9.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 60.25 110.912 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -81.5 -29.27 33.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 54.12 110.877 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -84.2 -9.79 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 60.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.09 18.16 72.73 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.711 . . . . 54.43 112.487 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -86.53 121.39 29.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 73.42 110.907 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -66.23 122.56 17.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 71.33 110.921 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -136.97 106.34 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 62.04 111.154 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.9 m -67.45 119.14 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 71.32 111.125 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.949 HG11 HD13 ' A' ' 75' ' ' LEU . 7.2 p -148.28 133.87 9.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 51.2 111.151 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.443 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.6 Cg_endo -69.82 140.4 42.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.27 . . . . 75.22 112.342 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.548 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 35.2 mm -64.85 148.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.5 111.176 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.05 -173.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.914 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -49.86 168.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.877 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.0 t -50.7 -29.35 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 61.5 111.182 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.15 -41.46 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.887 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.3 t -81.46 -31.86 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 74.33 111.113 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -34.75 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.191 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.26 -27.65 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.934 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -69.96 -45.25 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 64.55 110.866 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.77 -35.2 72.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.954 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -56.95 -33.89 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -68.99 -47.94 64.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.894 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.4 p -63.18 -35.57 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 34.15 111.136 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 101' ' ' ARG . 2.2 tt -57.89 -44.2 86.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.95 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.407 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.6 tpt180 -69.06 -45.33 70.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 43.32 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -62.64 -29.44 70.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 64.24 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -41.61 91.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -70.38 -32.64 70.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.19 -48.23 44.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 60.23 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -62.44 -32.13 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 70.02 110.888 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.589 HD22 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -69.54 -35.48 75.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.907 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.531 ' HD3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -54.32 -46.96 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.91 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.498 ' HA ' HD12 ' A' ' 112' ' ' ILE . 25.4 t0 -55.72 -46.88 77.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 55.41 110.915 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.822 HD22 HD11 ' A' ' 19' ' ' LEU . 11.8 tp -61.54 -51.87 66.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.886 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 107' ' ' LEU . 1.1 mp -59.46 -32.48 70.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 52.11 110.906 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.531 HD11 ' HD3' ' A' ' 108' ' ' ARG . 23.0 mt -63.28 -30.15 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.01 111.155 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.6 t -69.54 -30.19 67.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 62.44 110.877 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.679 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -98.22 -5.84 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 43.12 110.897 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 63.7 48.64 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 60.34 110.869 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.5 mm? -102.95 173.93 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 60.23 110.89 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.782 ' HB3' ' HB2' ' A' ' 66' ' ' ARG . . . -104.19 144.71 31.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 62.15 111.091 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.579 HD13 ' HE1' ' A' ' 69' ' ' TYR . 17.2 tp -129.74 117.33 20.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 70.4 110.897 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -147.45 159.97 40.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.674 0.75 . . . . 65.22 110.867 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.4 14.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 71.14 112.369 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.7 p -73.36 133.13 43.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 71.13 110.866 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -62.76 -17.02 60.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 62.52 110.894 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -91.98 13.89 17.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.05 110.922 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -94.81 130.87 41.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.91 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -99.14 -175.03 2.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -70.78 -173.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.869 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 63.09 70.54 0.73 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.651 0.739 . . . . 74.42 110.915 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.99 55.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 54.31 112.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.479 ' O ' HD12 ' A' ' 131' ' ' LEU . 8.9 p -54.18 128.91 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 64.35 111.121 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -79.1 97.84 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 45.42 110.886 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 129' ' ' VAL . 5.4 mp -73.64 -26.03 60.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.935 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.0 m -103.92 52.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 63.24 110.879 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 31.44 111.091 179.904 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.83 0.348 . . . . 74.33 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.5 p -136.9 154.28 50.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 64.3 111.114 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.435 HD21 ' HG3' ' A' ' 9' ' ' LYS . 3.8 mt -75.74 155.02 85.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.585 0.707 . . . . 74.15 110.902 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 3' ' ' LEU . 54.0 Cg_endo -69.77 -17.44 37.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.242 . . . . 71.25 112.336 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -75.57 -20.99 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.884 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.29 3.2 31.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 52.42 112.516 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 149.16 36.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 62.53 110.864 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.647 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.77 124.78 11.41 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 72.1 112.34 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HG3' HD21 ' A' ' 3' ' ' LEU . 37.7 tttt -70.06 -52.2 25.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.884 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 p -54.18 -44.2 71.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 52.4 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -61.72 -45.7 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.865 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.807 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.8 mm? -58.01 -41.95 84.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 61.43 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mm -59.89 -45.63 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.13 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -68.03 -39.0 83.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.877 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.482 ' HB3' HD11 ' A' ' 110' ' ' LEU . 13.9 mtmt -64.96 -51.0 64.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 55.51 110.878 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.807 ' CE2' HD12 ' A' ' 12' ' ' LEU . 16.8 m-85 -59.1 -30.2 67.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 74.43 110.903 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.1 m -59.77 -21.94 61.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 62.31 111.148 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.94 -7.41 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.12 111.127 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.82 HD11 HD22 ' A' ' 110' ' ' LEU . 69.3 mt -104.61 4.46 32.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 65.14 110.923 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.99 -152.16 17.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 63.31 112.493 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 169.16 19.6 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.71 2.273 . . . . 63.35 112.346 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -61.78 125.59 24.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 75.41 110.931 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 23' ' ' ILE . 5.1 mp -77.97 143.14 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.112 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -85.41 127.69 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 73.43 110.831 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.37 -61.29 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.873 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.75 174.11 32.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 72.44 112.478 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -110.56 -28.04 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 73.33 110.918 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 m -70.54 151.43 45.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 52.24 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -119.27 159.98 23.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.889 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 52.26 61.99 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 71.43 110.86 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -141.37 -178.15 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.864 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -98.05 141.78 30.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.899 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -57.32 148.48 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 54.13 110.876 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -144.13 128.48 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 70.35 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.72 156.15 32.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 62.33 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.74 111.61 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 75.15 110.874 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.8 m -107.56 82.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.58 HD22 ' HD1' ' A' ' 53' ' ' PHE . 6.9 mt -84.5 134.74 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 71.53 110.895 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.66 ' HB1' ' HG2' ' A' ' 95' ' ' ARG . . . -121.58 -50.3 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.108 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -142.12 148.52 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 42.54 111.083 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -89.32 154.11 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 71.32 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.696 HG12 ' CE2' ' A' ' 54' ' ' TRP . 19.1 m -80.53 -30.69 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 70.24 111.121 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -178.6 154.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 44' ' ' VAL . 9.7 p -128.55 1.89 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 63.31 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.528 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.6 mtmp? -51.52 -58.28 11.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 61.23 110.906 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.4 Cg_endo -69.78 -172.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.229 . . . . 70.45 112.331 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.726 ' HB3' ' HB2' ' A' ' 50' ' ' LYS . . . -51.65 160.05 1.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 52.21 111.101 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.74 -48.5 0.71 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.706 2.27 . . . . 73.21 112.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -80.24 -1.44 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.911 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.726 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 8.2 mtpm? -107.95 17.1 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 63.03 110.896 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 48' ' ' PRO . 17.3 ptt180 -110.73 158.38 18.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 63.44 110.848 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' OE1' HD21 ' A' ' 75' ' ' LEU . 4.1 mt-10 -113.42 166.95 11.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.858 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.58 ' HD1' HD22 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -143.29 148.56 36.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 72.14 110.88 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.696 ' CE2' HG12 ' A' ' 42' ' ' VAL . 88.0 m95 -80.87 159.9 24.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.926 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.757 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . 152.74 160.41 9.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.43 112.5 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.622 ' CD2' HD12 ' A' ' 100' ' ' LEU . 10.9 p-90 -125.33 133.52 52.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 75.44 110.898 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -83.37 173.19 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 71.34 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.22 111.4 12.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.884 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.28 129.46 56.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.892 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.735 HD13 ' CE2' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -136.45 159.69 41.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 63.42 110.94 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 68' ' ' THR . 3.6 tt0 -128.65 111.18 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 55.11 110.893 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.14 112.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 74.45 111.064 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -78.05 -176.65 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 73.12 110.898 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.52 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.86 41.72 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.921 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.74 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 16.5 ptt180 -168.43 -179.76 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.861 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.418 ' HD1' HD12 ' A' ' 116' ' ' LEU . 1.8 m-85 -130.67 152.69 49.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 73.01 110.929 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 61' ' ' GLU . 9.4 t -134.73 142.18 46.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 71.03 111.149 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.735 ' CE2' HD13 ' A' ' 60' ' ' LEU . 47.1 m-85 -133.57 172.23 13.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.926 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -152.97 160.61 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 74.22 110.842 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -119.15 110.83 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.41 110.92 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -136.12 132.67 36.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.23 110.934 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CE1' HD13 ' A' ' 100' ' ' LEU . 9.8 m-85 -91.76 164.86 13.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 62.51 110.888 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.74 -162.82 34.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 54.31 112.506 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.709 HD13 HG21 ' A' ' 85' ' ' VAL . 1.3 tt -145.33 145.7 31.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 62.54 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -94.67 121.24 36.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.12 110.856 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.71 169.98 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 73.33 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -81.0 -25.35 37.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.908 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -78.41 -9.76 59.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.928 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.08 18.5 79.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 60.31 112.476 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -103.23 139.27 38.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 75.33 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -51.96 121.81 7.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.41 110.912 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 m -145.61 106.29 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.164 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 84' ' ' VAL . 17.3 m -93.82 120.7 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 73.43 111.108 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.709 HG21 HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -128.56 157.82 73.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.608 0.718 . . . . 72.44 111.135 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.31 56.66 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.738 2.292 . . . . 72.53 112.342 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.412 HD13 ' CE3' ' A' ' 54' ' ' TRP . 35.0 mm -87.32 116.23 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.14 111.155 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -89.24 149.85 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.835 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.1 113.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -52.09 -31.85 32.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 73.41 111.119 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.48 -36.03 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.881 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.422 ' O ' HD23 ' A' ' 96' ' ' LEU . 96.4 t -79.96 -32.91 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 73.34 111.169 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -34.63 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 70.44 111.109 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.41 -29.06 64.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 65.32 110.864 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.66 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 21.3 tpp180 -73.53 -39.88 64.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.852 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.757 HD11 ' HA2' ' A' ' 55' ' ' GLY . 4.1 mm? -69.12 -41.8 76.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 62.24 110.912 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.494 ' HG3' HD23 ' A' ' 131' ' ' LEU . 33.4 tt0 -66.52 -36.92 83.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.51 110.891 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -60.54 -50.4 73.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.947 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -39.49 63.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 64.13 111.157 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.747 HD21 HG21 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -62.36 -51.33 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 70.01 110.939 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -60.52 -39.34 87.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 73.22 110.859 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.95 -28.8 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.891 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -48.27 80.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.863 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -40.69 70.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.862 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -72.04 -47.22 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 64.21 110.92 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -32.58 72.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.879 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.691 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -70.92 -35.8 72.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.921 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -45.55 72.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.876 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 112' ' ' ILE . 11.1 t70 -56.03 -46.04 78.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 64.25 110.87 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.82 HD22 HD11 ' A' ' 19' ' ' LEU . 12.0 tp -58.84 -50.63 73.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.924 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.724 HD21 ' OH ' ' A' ' 69' ' ' TYR . 72.5 mt -63.54 -37.68 88.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 41.52 110.88 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 109' ' ' ASP . 25.2 mt -60.72 -38.78 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.099 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -73.82 -20.51 60.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 52.13 110.874 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.501 ' HB3' HD23 ' A' ' 116' ' ' LEU . 6.4 mtm -96.84 -8.11 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 71.4 110.855 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.93 38.77 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 73.33 110.908 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' A' ' 114' ' ' MET . 3.4 mm? -103.28 135.99 43.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 63.44 110.909 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.74 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -67.87 136.11 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 64.33 111.093 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.482 ' HB2' HD13 ' A' ' 111' ' ' LEU . 27.0 tp -129.62 143.06 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 63.11 110.957 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -155.44 160.05 31.18 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.739 . . . . 63.31 110.867 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 171.34 14.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 74.42 112.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 m -57.05 179.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 52.12 110.879 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -67.44 -31.98 72.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.11 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -111.81 26.3 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -130.64 152.67 49.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 62.43 110.848 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -114.36 179.4 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 62.11 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -71.3 88.78 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.843 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -164.64 160.73 15.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 72.01 110.906 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 143.8 52.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.675 2.25 . . . . 75.54 112.375 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.747 HG21 HD21 ' A' ' 100' ' ' LEU . 6.2 p -55.34 114.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 72.41 111.136 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -96.79 96.53 8.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.909 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.494 HD23 ' HG3' ' A' ' 97' ' ' GLU . 3.2 mm? -74.31 -36.09 63.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.888 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.1 t -95.35 65.06 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.845 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 70.33 111.082 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.864 0.364 . . . . 72.43 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.9 p -76.25 156.75 33.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.33 111.144 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.516 HD12 ' OG ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -96.34 161.09 28.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 54.42 110.907 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 3' ' ' LEU . 53.7 Cg_endo -69.78 -14.54 36.18 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.242 . . . . 71.5 112.364 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.516 ' OG ' HD12 ' A' ' 3' ' ' LEU . 1.3 p -61.58 -24.0 66.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 64.14 110.877 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.09 -25.81 17.28 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 55.02 112.462 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.423 ' HB2' HD21 ' A' ' 12' ' ' LEU . 41.7 m-70 -86.13 152.32 55.6 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 73.21 110.875 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.42 19.3 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 64.11 112.344 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HB2' HD23 ' A' ' 3' ' ' LEU . 12.5 tttp -63.4 -24.32 67.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 70.44 110.896 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.3 p -68.83 -39.17 80.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.857 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -78.36 -42.89 29.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 70.13 110.825 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.761 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.5 mm? -58.15 -49.38 77.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 42.42 110.939 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.617 HG21 ' HG2' ' A' ' 25' ' ' GLU . 28.3 mm -62.29 -43.25 97.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 61.54 111.112 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -65.34 -38.14 89.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.894 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HB3' HD11 ' A' ' 110' ' ' LEU . 1.7 mtmp? -71.57 -48.4 48.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.893 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.761 ' CE2' HD12 ' A' ' 12' ' ' LEU . 14.8 m-85 -59.1 -23.1 61.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 63.12 110.846 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.1 m -66.24 -21.84 66.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 54.14 111.151 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.89 -7.27 58.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 62.01 111.075 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD11 HD22 ' A' ' 110' ' ' LEU . 44.2 mt -102.17 4.25 39.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 73.52 110.94 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.13 -150.38 16.25 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.683 -0.77 . . . . 73.32 112.464 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 168.8 20.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 71.12 112.345 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -62.12 122.08 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 75.34 110.962 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.6 mp -73.89 141.59 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.12 111.135 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -83.44 93.34 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 75.32 110.89 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.617 ' HG2' HG21 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -97.78 124.72 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 72.35 110.936 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.75 -152.99 7.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 71.24 112.492 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -87.66 142.93 27.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 60.14 110.931 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 t -174.11 138.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 64.31 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.5 -39.87 94.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.957 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.37 146.13 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 44.42 110.84 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -105.59 79.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mtp85 -139.93 154.46 47.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.908 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -105.75 111.08 23.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.856 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -112.13 128.1 56.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 64.11 110.897 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -120.55 146.58 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 74.51 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -107.03 112.71 25.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.87 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 t -106.4 143.83 33.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.917 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 76' ' ' PHE . 60.5 mt -111.02 118.43 36.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 64.25 110.893 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.03 -68.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 40.54 111.066 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.7 t -140.66 136.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 72.13 111.118 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.5 m -75.55 147.99 39.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 75.02 110.891 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 52' ' ' GLU . 99.3 t -61.31 -51.88 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 54.22 111.123 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.441 ' OD1' HG12 ' A' ' 42' ' ' VAL . 18.9 m-20 -130.32 164.59 24.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 70.1 110.892 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 p -119.91 -32.09 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.151 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 6.9 mttt -52.5 -58.36 12.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 64.43 110.895 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.75 -171.38 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.725 2.283 . . . . 63.53 112.322 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 50' ' ' LYS . . . -81.77 159.93 65.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.548 0.69 . . . . 63.35 111.088 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.74 -48.24 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 70.23 112.339 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -70.67 -21.19 62.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.876 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 59.1 mttt -84.11 -14.0 51.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 71.53 110.9 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -121.28 159.68 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.881 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.546 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.2 mp0 -92.47 164.8 13.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 63.24 110.846 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -125.07 154.58 41.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 74.3 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.566 ' HZ3' HG23 ' A' ' 85' ' ' VAL . 75.6 m95 -88.85 144.89 25.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.33 132.27 1.4 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.752 -0.737 . . . . 71.54 112.513 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -89.41 129.49 35.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 75.13 110.942 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -82.98 146.62 28.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.946 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.667 ' CE ' HD23 ' A' ' 60' ' ' LEU . 4.8 tmm? -113.37 112.83 24.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 25.54 110.857 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.36 113.53 25.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.895 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.667 HD23 ' CE ' ' A' ' 58' ' ' MET . 3.7 pp -117.34 155.29 29.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.923 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -122.36 111.38 16.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 64.35 110.932 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.61 113.7 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.4 111.137 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.523 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 1.4 mm100 -78.27 -173.77 3.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 70.22 110.947 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.523 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 2.7 mt-10 -54.11 -64.73 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 72.54 110.912 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.17 37.83 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 75.15 110.913 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.729 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 10.8 ptt180 -163.21 172.41 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.21 110.892 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.634 ' HB3' HD21 ' A' ' 111' ' ' LEU . 2.2 m-85 -127.85 144.6 51.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.879 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.9 t -141.53 136.21 30.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 75.23 111.171 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -124.63 172.56 9.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.909 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.3 mtt85 -145.42 153.16 40.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 71.33 110.889 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -91.57 117.68 29.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 70.12 110.916 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -135.81 117.62 15.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 71.33 110.891 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -93.37 158.59 15.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 62.2 110.868 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 176.27 -143.3 6.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.496 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 85' ' ' VAL . 2.9 tt -145.18 145.49 31.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.819 0.342 . . . . 75.31 110.922 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CD2' HD21 ' A' ' 38' ' ' LEU . 74.5 t80 -101.33 95.4 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.846 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.22 171.54 12.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.908 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 ptpt -81.34 -24.99 36.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 64.1 110.902 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.19 -9.77 59.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 71.55 19.33 77.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 71.34 112.451 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -98.01 158.81 15.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 55.53 110.909 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -68.56 121.8 17.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 52.21 110.919 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.7 m -145.74 111.27 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 63.34 111.117 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 84' ' ' VAL . 16.7 m -97.71 120.38 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 75.32 111.133 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.766 HG21 HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -136.67 157.87 74.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.73 . . . . 74.5 111.098 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 149.72 66.85 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.248 . . . . 72.13 112.369 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.4 mm -93.05 115.36 31.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 71.05 111.146 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -87.11 152.09 22.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.02 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.09 104.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.909 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.2 t -54.45 -27.94 40.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 65.43 111.148 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -54.17 -35.98 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.233 -0.44 . . . . 61.44 110.908 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -78.67 -46.08 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 75.14 111.118 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -33.2 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.142 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -66.92 -34.35 77.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.581 ' O ' HG23 ' A' ' 99' ' ' THR . 20.4 tpp85 -66.61 -35.97 81.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 72.14 110.825 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.75 -40.94 75.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 64.44 110.932 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.45 -38.38 84.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 64.34 110.901 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -69.63 -50.78 40.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 64.33 110.889 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 95' ' ' ARG . 33.0 p -64.01 -27.64 69.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.119 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 tt -58.52 -48.27 81.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 61.35 110.892 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -47.51 65.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 54.2 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -57.74 -29.38 64.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.935 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -64.68 -43.53 93.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.907 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.561 ' NE2' HD21 ' A' ' 118' ' ' LEU . 20.1 t-80 -70.2 -32.83 70.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 72.22 110.869 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.92 -49.03 76.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.895 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -74.15 -32.5 63.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 63.23 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.618 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -67.48 -35.49 79.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.856 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.74 ' HD3' HD22 ' A' ' 118' ' ' LEU . 26.7 tpt180 -66.58 -44.44 82.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 63.43 110.883 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -56.16 -46.78 79.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.821 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.743 HD22 HD11 ' A' ' 19' ' ' LEU . 12.2 tp -59.31 -51.7 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 73.31 110.928 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.634 HD21 ' HB3' ' A' ' 67' ' ' PHE . 1.7 mp -59.42 -32.57 70.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 65.32 110.868 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 46.2 mt -65.08 -30.3 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 75.31 111.1 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.49 -30.56 69.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 72.04 110.888 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.664 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -96.26 -4.65 41.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.912 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 63.29 48.91 3.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.865 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.664 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.1 mm? -103.14 133.1 48.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.857 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.729 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -62.04 140.65 58.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 64.4 111.136 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.74 HD22 ' HD3' ' A' ' 108' ' ' ARG . 6.2 tp -121.84 141.56 51.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.937 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -145.64 160.23 45.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.618 0.723 . . . . 74.25 110.891 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.35 14.61 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.692 2.262 . . . . 71.23 112.342 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.0 t -81.66 129.72 34.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 61.55 110.85 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -61.77 -18.01 58.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 73.44 110.819 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -76.81 -9.34 58.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.874 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -106.95 136.0 47.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -123.94 74.36 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.881 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.0 t0 53.55 40.73 31.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.867 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -144.53 68.53 14.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 73.24 110.917 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.18 68.85 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 2.258 . . . . 70.51 112.321 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.497 HG23 HD22 ' A' ' 131' ' ' LEU . 16.5 m -53.93 147.83 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.53 111.158 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -75.67 97.49 3.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 65.45 110.964 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.497 HD22 HG23 ' A' ' 129' ' ' VAL . 4.5 mm? -73.14 -27.6 61.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 75.24 110.919 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 94.2 p -105.25 58.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.867 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 71.12 111.088 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.882 0.373 . . . . 74.15 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -88.33 159.92 17.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 75.05 111.151 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.07 153.82 91.07 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.675 0.75 . . . . 74.35 110.885 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -17.23 37.81 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 41.43 112.323 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -18.94 58.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.861 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.33 1.17 31.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 73.43 112.538 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.65 150.25 37.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 65.35 110.892 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.609 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.6 Cg_endo -69.8 125.32 11.99 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.697 2.264 . . . . 72.31 112.336 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -69.21 -50.13 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.7 t -54.49 -36.69 64.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 61.24 110.838 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.77 -46.14 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 73.31 110.853 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.785 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.3 mm? -58.96 -48.86 80.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.906 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 mm -55.7 -48.04 78.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.13 111.152 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -65.35 -47.33 76.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 64.35 110.919 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HB3' HD11 ' A' ' 110' ' ' LEU . 9.7 mtpt -57.59 -49.71 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 71.42 110.946 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.785 ' CE2' HD12 ' A' ' 12' ' ' LEU . 15.9 m-85 -58.9 -33.36 70.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 71.41 110.875 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.6 m -63.3 -21.15 66.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 51.52 111.109 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.06 -8.52 57.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 70.33 111.092 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.979 HD11 HD22 ' A' ' 110' ' ' LEU . 10.0 mt -105.36 4.06 30.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 73.11 110.861 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.13 -145.99 10.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.73 . . . . 62.51 112.498 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 165.09 32.1 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 2.263 . . . . 73.14 112.35 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -63.45 141.37 58.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 55.31 110.931 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.7 mp -94.05 136.35 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 62.1 111.132 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.23 93.78 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.907 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.74 159.3 15.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 63.43 110.905 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.95 142.7 9.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 60.43 112.516 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -116.42 55.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 65.33 110.907 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.8 p -119.0 -38.15 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.905 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -158.05 172.44 18.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 62.03 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -74.9 123.11 24.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.813 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -153.97 177.3 11.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 62.34 110.867 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -98.79 160.49 14.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.882 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -68.74 133.45 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 62.24 110.917 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.478 ' O ' HG23 ' A' ' 23' ' ' ILE . 3.8 m-85 -101.02 122.21 43.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 71.15 110.869 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -112.76 134.85 54.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 64.12 110.89 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -106.77 112.64 25.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 60.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 77.3 m -106.18 105.76 15.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 74.53 110.912 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.3 mt -110.7 89.7 3.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.938 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.04 -57.44 2.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 62.41 111.14 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.821 HG21 HG13 ' A' ' 92' ' ' VAL . 3.0 m -138.09 159.42 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 71.41 111.111 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.0 p -83.05 149.68 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 73.11 110.885 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.509 HG12 ' OD1' ' A' ' 43' ' ' ASN . 59.2 t -80.06 -36.81 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 63.34 111.109 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.509 ' OD1' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -178.16 154.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 74.2 110.879 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.48 -11.58 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.14 111.142 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.532 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 12.7 mtpt -51.56 -58.27 11.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 74.2 110.86 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.76 160.09 50.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 73.2 112.378 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.67 160.07 1.14 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 71.41 111.08 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.79 -30.65 21.8 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.663 2.242 . . . . 54.33 112.373 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -63.65 -25.6 68.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.878 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -111.05 16.99 20.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 53.31 110.891 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 25.0 ttm180 -72.11 152.04 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 73.24 110.859 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.751 ' HB3' HD11 ' A' ' 75' ' ' LEU . 34.6 mt-10 -135.76 154.0 51.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 71.12 110.878 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -129.21 148.21 51.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 73.24 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.549 ' HD1' HG23 ' A' ' 40' ' ' VAL . 80.9 m95 -80.98 155.44 26.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 73.33 110.91 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.02 -178.97 39.21 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 60.22 112.527 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -133.33 119.97 20.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 72.24 110.915 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -86.16 130.15 34.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 73.05 110.895 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -122.06 116.73 24.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 45.23 110.894 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -113.41 116.85 30.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.905 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.521 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -126.55 159.45 33.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 75.34 110.89 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -128.15 117.0 20.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 71.52 110.89 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.4 138.81 20.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 61.21 111.139 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.02 -177.9 3.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 45.41 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -49.89 -59.77 3.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 71.15 110.878 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' O ' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -135.46 8.48 3.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.903 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.585 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 56.4 mtm180 -122.11 178.07 5.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.835 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.722 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -146.5 131.59 18.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.846 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -108.46 164.19 12.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 73.35 111.151 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -157.5 143.52 17.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 73.53 110.957 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -149.29 127.5 12.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 75.31 110.902 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD1' HD11 ' A' ' 100' ' ' LEU . 9.1 p90 -111.49 139.58 46.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.933 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -135.69 145.01 46.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.937 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -91.9 156.6 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 71.53 110.887 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.68 -134.75 4.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 55.42 112.507 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 52' ' ' GLU . 16.9 tp -144.8 143.55 30.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.54 110.876 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.636 ' H ' HD12 ' A' ' 75' ' ' LEU . 15.2 t80 -103.68 96.45 6.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.15 110.854 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -74.89 170.47 15.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 70.33 110.878 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -20.53 42.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.918 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -78.17 -9.67 59.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 44.34 110.857 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.49 19.12 76.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 72.53 112.502 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -100.66 137.54 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 73.35 110.887 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 15.5 m0 -51.96 121.66 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 63.52 110.964 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.1 m -140.64 108.24 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 75.11 111.152 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 84' ' ' VAL . 16.6 m -97.45 120.13 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 73.24 111.146 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.542 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -127.76 158.02 71.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.63 0.729 . . . . 70.45 111.174 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 143.22 50.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.708 2.272 . . . . 63.12 112.363 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -97.1 115.34 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 64.52 111.11 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -94.97 155.68 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 63.98 101.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 70.42 110.921 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -52.86 -27.95 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.107 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -54.05 -35.17 61.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 71.23 110.884 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.821 HG13 HG21 ' A' ' 40' ' ' VAL . 62.2 t -78.97 -45.91 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 72.23 111.168 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.3 -33.08 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 51.33 111.109 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -69.91 -32.78 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 65.23 110.914 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -74.56 -35.09 63.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.898 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.511 HD23 HG12 ' A' ' 92' ' ' VAL . 4.4 mm? -70.81 -45.21 65.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 62.33 110.931 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.22 -38.66 92.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.9 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -65.93 -47.29 75.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.43 110.946 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 p -59.7 -24.88 64.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 71.34 111.178 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.605 HD11 ' CD1' ' A' ' 71' ' ' TYR . 1.6 tt -74.79 -40.72 60.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 74.24 110.949 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -71.06 -49.78 41.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.05 110.841 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -33.61 71.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 70.43 110.906 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.521 ' CE1' HD23 ' A' ' 107' ' ' LEU . 14.0 t80 -72.79 -34.21 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 64.32 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -41.4 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.44 110.869 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.57 -47.84 84.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 74.44 110.908 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -65.97 -31.93 73.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 60.53 110.954 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.743 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.7 -35.93 82.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 63.34 110.93 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' HG2' HD11 ' A' ' 112' ' ' ILE . 27.2 ttt180 -60.01 -41.91 93.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 54.44 110.88 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.407 ' HA ' HD12 ' A' ' 112' ' ' ILE . 34.0 t70 -56.19 -46.42 79.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 64.55 110.873 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.979 HD22 HD11 ' A' ' 19' ' ' LEU . 51.6 tp -58.71 -50.06 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.92 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.685 HD21 HD13 ' A' ' 118' ' ' LEU . 7.2 mp -63.84 -36.83 85.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.92 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.413 HD11 ' HG2' ' A' ' 108' ' ' ARG . 25.0 mt -61.74 -37.01 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 54.45 111.127 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -73.57 -23.24 59.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 71.14 110.861 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.2 mtm -96.06 -5.06 41.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 74.31 110.888 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 64.04 42.68 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 70.52 110.921 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 65' ' ' LYS . 3.5 mm? -109.73 138.14 46.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.933 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.585 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -83.76 139.46 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 72.12 111.115 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 67' ' ' PHE . 14.6 tp -129.76 121.1 26.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 63.52 110.891 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -147.56 159.8 40.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.721 . . . . 74.41 110.904 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 171.33 14.59 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.715 2.276 . . . . 64.33 112.361 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.3 m -110.58 125.19 53.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 53.45 110.883 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.25 -22.73 53.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.87 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -95.9 26.41 4.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.866 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -94.59 108.31 20.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.878 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -122.71 112.49 18.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 71.44 110.908 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -173.78 175.73 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 60.1 110.831 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -113.88 73.81 2.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 73.4 110.89 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.11 54.64 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.659 2.239 . . . . 74.05 112.345 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 5.3 m -53.84 155.65 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 61.33 111.118 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -95.42 98.59 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.892 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.14 -31.05 71.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 65.01 110.908 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.0 t -89.67 64.73 6.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 64.12 110.903 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 72.44 111.105 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.863 0.363 . . . . 60.54 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.6 p -134.23 153.83 51.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 72.2 111.097 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 62' ' ' ALA . 9.0 mp -74.09 161.0 80.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.565 0.697 . . . . 65.14 110.918 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -26.26 27.71 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.229 . . . . 75.35 112.347 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.61 -19.64 55.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 72.53 110.871 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.36 8.07 27.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 64.24 112.482 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.487 ' HD2' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -90.8 153.07 45.3 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.613 0.72 . . . . 75.51 110.834 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' O ' HD13 ' A' ' 12' ' ' LEU . 53.4 Cg_endo -69.78 124.29 10.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 73.22 112.339 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -70.66 -57.17 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 52.14 110.929 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.7 m -54.16 -45.94 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 72.32 110.88 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -62.03 -34.91 77.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 75.14 110.904 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.487 HD11 ' HD2' ' A' ' 7' ' ' HIS . 3.0 mp -73.22 -49.29 28.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.856 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.94 -41.56 77.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 63.34 111.124 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -67.91 -40.5 83.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.887 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB3' HD11 ' A' ' 110' ' ' LEU . 13.2 mtmm -68.0 -44.06 77.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 54.23 110.902 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 110' ' ' LEU . 18.1 m-85 -58.75 -26.6 64.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.15 110.834 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.1 m -63.13 -21.25 66.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 62.13 111.187 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.84 -7.26 58.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 64.51 111.071 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.005 HD11 HD22 ' A' ' 110' ' ' LEU . 42.5 mt -103.74 4.32 35.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.907 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.24 -150.88 19.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.755 . . . . 72.23 112.476 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.4 18.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 60.21 112.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -61.38 132.53 53.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.947 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 23' ' ' ILE . 5.0 mp -79.34 143.86 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 74.25 111.123 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -82.31 93.96 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 71.42 110.871 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -51.88 -31.79 29.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.863 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.25 154.74 0.62 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 55.31 112.465 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -85.79 -49.07 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.816 0.341 . . . . 72.01 110.928 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.9 t -58.17 160.11 5.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.872 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -90.99 88.0 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.888 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.8 151.93 31.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 43.42 110.873 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.12 41.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.918 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -138.03 156.91 47.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.866 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -112.76 122.23 47.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 64.15 110.926 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -93.39 149.18 21.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 65.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -148.73 116.35 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.865 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.08 111.99 24.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 70.32 110.876 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 p -107.06 129.47 54.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 61.21 110.882 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.401 HD22 ' HD2' ' A' ' 53' ' ' PHE . 15.7 mt -105.63 90.52 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.55 110.937 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.69 -70.51 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 72.35 111.113 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.689 HG21 HG13 ' A' ' 92' ' ' VAL . 2.4 m -126.36 157.63 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 73.5 111.12 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.3 t -89.79 135.89 33.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 61.41 110.89 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.781 HG12 ' CE2' ' A' ' 54' ' ' TRP . 17.3 m -56.27 -39.64 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 75.12 111.127 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -178.14 171.05 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.0 m -135.18 13.27 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.23 111.129 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -67.21 -58.37 9.13 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.612 0.72 . . . . 72.35 110.912 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.7 Cg_endo -69.74 -172.14 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 71.12 112.359 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -72.43 159.96 84.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 40.02 111.091 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.72 -23.87 30.51 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 72.03 112.347 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -63.57 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 63.45 110.873 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -113.61 17.14 18.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.14 110.872 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.11 144.26 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 64.42 110.85 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.638 ' HB3' HD11 ' A' ' 75' ' ' LEU . 21.7 mt-10 -136.99 166.76 22.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.89 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HD2' HD22 ' A' ' 38' ' ' LEU . 16.3 m-85 -136.22 146.25 46.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.54 110.904 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.781 ' CE2' HG12 ' A' ' 42' ' ' VAL . 79.1 m95 -80.81 155.63 26.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 73.53 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.631 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . 163.73 150.29 6.04 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.779 -0.724 . . . . 71.21 112.492 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.414 ' HD1' HD12 ' A' ' 96' ' ' LEU . 38.3 p-90 -114.92 129.58 56.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.301 . . . . 73.3 110.937 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 38.0 p90 -91.37 175.59 6.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 72.14 110.924 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.8 116.97 7.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.867 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.75 112.35 25.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 71.42 110.889 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.527 HD12 ' HE1' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -134.94 160.06 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.968 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -137.03 126.8 25.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 51.22 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.548 ' HB3' HD23 ' A' ' 3' ' ' LEU . . . -49.5 118.93 3.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.09 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.28 175.54 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 74.22 110.901 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.49 -64.29 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 64.42 110.927 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.51 36.34 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 72.15 110.892 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.867 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 8.0 ptp180 -168.66 -179.38 3.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.33 110.879 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.527 ' HE1' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -136.87 145.12 44.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.34 110.89 -179.881 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.4 t -126.69 164.38 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 75.02 111.114 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -151.88 143.67 23.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.941 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 mmt-85 -126.93 160.67 30.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.882 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -110.71 121.43 45.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.942 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -135.41 119.04 17.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 42.41 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -91.59 164.15 13.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.919 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 162.45 -164.64 35.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 64.42 112.473 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 52' ' ' GLU . 21.6 tp -123.26 143.49 50.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 63.35 110.94 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.6 ' H ' HD12 ' A' ' 75' ' ' LEU . 56.1 t80 -109.43 101.16 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.12 110.894 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -79.82 171.45 15.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 75.52 110.846 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -58.36 -29.16 65.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 65.11 110.887 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -88.67 -9.72 51.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 74.04 110.861 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.58 18.58 78.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 72.45 112.481 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.94 121.39 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 74.4 110.904 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -60.03 121.64 12.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 64.21 110.943 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 85.0 m -145.71 114.25 6.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 75.14 111.184 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.8 m -70.46 118.91 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 65.2 111.097 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.438 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.8 OUTLIER -133.28 158.17 76.37 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 64.12 111.163 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 146.52 60.38 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 74.44 112.324 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.0 mm -96.91 146.49 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 72.23 111.161 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.408 ' HB2' HG21 ' A' ' 92' ' ' VAL . 3.2 m120 -57.35 -176.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 65.41 110.878 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 169.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 64.42 110.847 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -53.3 -27.43 22.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 71.34 111.161 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' HG3' HG23 ' A' ' 92' ' ' VAL . 10.5 pt-20 -53.39 -42.25 66.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.33 110.901 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.689 HG13 HG21 ' A' ' 40' ' ' VAL . 98.8 t -79.72 -48.75 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 64.24 111.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.34 -33.29 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 53.33 111.118 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.29 -36.6 84.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 53.4 110.908 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.594 ' O ' HG23 ' A' ' 99' ' ' THR . 17.1 tpp180 -62.88 -46.31 88.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 61.31 110.884 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.631 HD11 ' HA2' ' A' ' 55' ' ' GLY . 4.4 mm? -70.79 -37.28 73.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.919 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -59.48 -41.62 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -64.8 -37.94 89.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 70.25 110.947 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 95' ' ' ARG . 20.1 p -73.06 -28.4 62.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 74.15 111.091 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 101' ' ' ARG . 3.0 tt -60.25 -48.32 82.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 71.13 110.976 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.3 tpt85 -69.24 -34.88 75.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 65.24 110.916 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -71.87 -29.34 64.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 54.22 110.872 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.88 -45.72 88.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.924 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -69.83 -32.28 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 64.53 110.883 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.93 -47.73 67.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.862 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 ptmt -67.1 -33.18 74.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.852 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.526 HD12 HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -71.42 -33.98 69.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 41.32 110.916 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.462 ' HE ' HD11 ' A' ' 112' ' ' ILE . 10.3 mmm-85 -52.1 -42.82 63.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.856 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.63 -37.89 88.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 71.31 110.838 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.005 HD22 HD11 ' A' ' 19' ' ' LEU . 5.1 tp -69.16 -51.01 42.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.932 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.579 HD12 HD11 ' A' ' 118' ' ' LEU . 46.5 mt -63.42 -39.14 93.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 72.24 110.904 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.462 HD11 ' HE ' ' A' ' 108' ' ' ARG . 26.6 mt -64.95 -31.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 75.22 111.191 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.2 t -73.46 -24.26 60.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 64.13 110.869 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.557 ' HB3' HD23 ' A' ' 116' ' ' LEU . 12.4 mtm -92.14 -3.25 55.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 64.32 110.906 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 64.33 45.81 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.878 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 114' ' ' MET . 3.9 mm? -105.78 173.07 6.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 55.01 110.916 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.867 ' HB3' ' HB2' ' A' ' 66' ' ' ARG . . . -94.64 152.37 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.05 111.109 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.579 HD11 HD12 ' A' ' 111' ' ' LEU . 3.4 mm? -123.4 112.49 17.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 73.01 110.903 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.453 ' OE2' ' HB1' ' A' ' 117' ' ' ALA . 4.3 mp0 -126.82 157.04 72.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 73.35 110.929 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 170.73 15.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 74.54 112.364 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.1 m -76.19 142.08 41.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 60.23 110.871 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.01 -25.9 46.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 70.14 110.882 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -95.84 25.81 4.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.909 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -111.69 109.09 18.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.86 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -117.67 -66.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.878 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -158.26 177.35 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 74.51 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 57.71 68.47 1.92 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.659 0.742 . . . . 74.44 110.908 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 158.62 56.31 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.231 . . . . 73.51 112.362 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.21 123.97 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 72.43 111.142 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 133' ' ' ALA . 4.3 mptt -64.34 98.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.35 110.893 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.23 -36.6 78.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.899 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.6 m -100.57 64.82 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.898 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 130' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 72.14 111.111 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.83 0.348 . . . . 73.23 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.8 p -75.7 160.02 30.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 71.11 111.173 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.72 HD11 ' HG ' ' A' ' 12' ' ' LEU . 12.2 mt -63.83 154.13 81.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 70.24 110.911 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -17.08 37.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 71.3 112.326 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.36 -17.97 50.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 53.23 110.816 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.91 28.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 71.1 112.499 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.84 149.22 36.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.577 0.703 . . . . 72.32 110.849 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.642 ' O ' HD23 ' A' ' 12' ' ' LEU . 54.7 Cg_endo -69.73 127.23 14.32 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 74.14 112.358 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -32.99 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.935 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 p -68.27 -47.13 68.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.895 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -62.39 -41.31 98.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 73.25 110.866 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.741 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.4 mm? -60.06 -49.32 78.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.9 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -63.05 -48.36 88.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 73.25 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -35.05 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 70.32 110.888 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.764 ' HB3' HD11 ' A' ' 110' ' ' LEU . 6.2 mttp -72.97 -50.63 22.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 65.32 110.861 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.741 ' CE2' HD12 ' A' ' 12' ' ' LEU . 16.3 m-85 -59.0 -29.84 67.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 73.44 110.846 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.9 m -59.56 -21.89 60.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 73.32 111.154 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.19 -7.82 59.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.52 111.101 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.718 HD11 HD22 ' A' ' 110' ' ' LEU . 39.0 mt -104.74 4.28 32.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.91 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.56 -151.31 19.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 55.51 112.491 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.6 21.1 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.673 2.249 . . . . 63.32 112.333 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.06 123.67 18.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 71.44 110.923 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.4 mp -72.03 138.21 22.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 74.23 111.158 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -83.26 102.43 11.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 75.22 110.892 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -54.47 114.85 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.35 110.86 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.84 175.33 0.38 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 75.45 112.502 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -57.56 -179.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 74.32 110.934 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.4 t -51.88 -45.94 64.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.883 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -95.48 64.61 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.897 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.49 144.96 35.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 24.33 110.924 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -127.86 -55.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 65.13 110.908 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -113.33 157.91 21.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.55 110.879 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -93.71 153.32 18.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.882 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -143.76 119.22 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.845 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.69 142.6 45.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 72.11 110.901 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -106.71 112.83 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 72.22 110.872 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 t -106.35 128.4 53.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 73.35 110.93 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.434 HD22 ' HD2' ' A' ' 53' ' ' PHE . 41.5 mt -110.56 108.37 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 44.23 110.934 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.88 -69.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 70.23 111.063 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.3 t -134.37 143.97 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 74.03 111.136 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.1 p -74.8 155.81 37.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 65.52 110.867 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG22 ' CE2' ' A' ' 54' ' ' TRP . 43.8 t -80.68 -51.54 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.117 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -152.14 168.64 24.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 71.33 110.89 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 44' ' ' VAL . 10.5 p -120.26 -8.81 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.114 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 mtpp -51.51 -58.31 11.31 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.597 0.713 . . . . 53.31 110.914 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.0 Cg_endo -69.78 160.15 50.76 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.23 . . . . 72.25 112.371 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.62 160.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.605 0.717 . . . . 40.42 111.082 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.77 -36.48 10.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 74.2 112.384 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -64.13 -25.31 68.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 64.33 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -110.86 17.0 20.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 75.3 110.883 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' A' ' 48' ' ' PRO . 14.1 ttp180 -80.73 120.47 24.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.868 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -91.21 142.61 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.863 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.434 ' HD2' HD22 ' A' ' 38' ' ' LEU . 6.8 m-85 -118.33 154.87 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 63.44 110.899 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.695 ' CE2' HG22 ' A' ' 42' ' ' VAL . 23.1 m95 -81.48 135.97 35.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.904 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -172.33 167.46 40.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.752 -0.737 . . . . 44.4 112.529 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -133.07 128.46 36.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.744 0.307 . . . . 74.21 110.973 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 41.1 p90 -91.99 167.42 12.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.288 -0.414 . . . . 74.51 110.916 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ttp -134.05 116.71 15.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 42.45 110.894 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -113.26 113.4 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 64.33 110.907 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 60' ' ' LEU . 1.4 pp -134.5 159.47 41.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 71.03 110.91 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -127.41 111.39 13.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.905 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.35 141.18 15.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 75.1 111.07 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -108.08 -179.48 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.915 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.07 -64.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.855 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.56 41.57 3.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 64.31 110.887 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.635 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 58.1 mtt180 -158.24 179.72 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.841 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.97 132.88 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.859 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.7 t -111.01 163.99 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.107 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -154.83 143.31 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 72.3 110.936 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -121.2 139.44 53.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 73.43 110.849 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.481 ' HD2' HD21 ' A' ' 100' ' ' LEU . 2.1 m-85 -114.87 103.91 11.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 64.54 110.939 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -135.99 146.79 47.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 73.53 110.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' HD13 ' A' ' 100' ' ' LEU . 28.3 m-85 -94.01 160.72 14.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 61.21 110.911 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.98 -160.16 24.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 75.51 112.525 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.738 HD13 HG21 ' A' ' 85' ' ' VAL . 2.6 tt -132.91 145.81 51.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.86 0.362 . . . . 72.31 110.925 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -108.09 104.94 14.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.886 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.1 179.25 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 71.42 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -76.3 -29.1 57.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.918 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -81.63 -9.76 59.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 70.44 110.88 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.05 19.8 75.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.675 -0.774 . . . . 71.33 112.485 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -89.51 146.59 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 71.54 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -69.41 122.01 18.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.911 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 m -141.68 125.63 17.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.01 111.123 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.8 m -89.66 122.77 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 72.41 111.076 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.738 HG21 HD13 ' A' ' 75' ' ' LEU . 2.2 m -142.83 156.9 62.32 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 74.55 111.157 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.7 69.28 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.693 2.262 . . . . 65.5 112.374 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.5 HG21 HG23 ' A' ' 93' ' ' VAL . 43.0 mm -96.96 145.47 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 63.23 111.107 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -57.87 -175.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 75.43 110.85 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.48 167.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.02 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -53.15 -27.6 21.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 73.02 111.119 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.415 ' HG3' HG23 ' A' ' 92' ' ' VAL . 9.7 pt-20 -53.56 -42.14 67.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.831 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.415 HG23 ' HG3' ' A' ' 91' ' ' GLU . 97.7 t -79.6 -48.77 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.32 111.126 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.5 HG23 HG21 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -51.49 -33.14 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 71.2 111.108 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.91 -37.41 87.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.92 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 99' ' ' THR . 25.2 tpt180 -66.72 -46.7 74.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.908 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.88 -34.87 72.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 71.3 110.882 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.68 -48.76 80.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.887 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -60.17 -50.94 71.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.902 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 95' ' ' ARG . 52.5 p -60.26 -30.25 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 61.32 111.157 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.578 HD13 ' CE1' ' A' ' 73' ' ' PHE . 3.7 tt -73.72 -45.1 54.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 70.45 110.907 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.457 ' HD2' HD12 ' A' ' 131' ' ' LEU . 11.4 ttt180 -69.47 -49.48 54.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.875 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.35 -29.22 65.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 63.34 110.849 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.696 ' CE1' HD23 ' A' ' 107' ' ' LEU . 33.2 t80 -63.81 -35.09 79.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 63.22 110.858 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -63.38 -32.82 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.833 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -47.53 51.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.04 110.887 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -32.5 74.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.22 110.878 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.696 HD23 ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -66.14 -38.68 88.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.5 110.899 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' HG2' HD11 ' A' ' 112' ' ' ILE . 21.7 ttt180 -55.78 -47.89 76.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.34 110.844 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.645 ' HA ' HD12 ' A' ' 112' ' ' ILE . 17.4 t70 -57.04 -44.75 83.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.14 110.872 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.764 HD11 ' HB3' ' A' ' 15' ' ' LYS . 9.6 tp -58.99 -52.01 67.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 53.12 110.907 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.97 -33.03 72.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.885 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 109' ' ' ASP . 26.0 mt -62.1 -32.82 55.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 63.0 111.132 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.66 -30.92 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 41.2 110.86 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.702 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -97.02 -2.31 43.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.858 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 63.19 46.89 4.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.873 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.702 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.8 mm? -103.37 153.92 19.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.23 110.888 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.635 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -94.04 159.61 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.124 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.6 mt -117.55 132.69 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.882 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -156.24 157.53 31.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.632 0.729 . . . . 75.23 110.839 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 169.82 18.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 73.42 112.368 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.3 t -110.77 -177.77 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 70.11 110.83 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -80.21 -22.94 41.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.854 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.27 -9.33 58.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 60.21 110.851 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -91.06 107.59 19.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 73.15 110.895 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -94.21 -74.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 53.2 110.875 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -175.06 179.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 61.21 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 60.95 68.33 1.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 51.03 110.886 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 158.95 55.15 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.719 2.279 . . . . 74.45 112.316 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 131' ' ' LEU . 7.3 p -54.01 139.67 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 61.43 111.143 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -67.05 97.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 63.21 110.907 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 129' ' ' VAL . 4.1 mm? -73.3 -34.99 66.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 71.52 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.3 t -102.98 46.08 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 62.33 110.869 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 70.24 111.065 179.878 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.852 0.358 . . . . 72.41 110.856 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.0 p -76.39 159.71 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.13 111.139 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.663 HD11 HD22 ' A' ' 12' ' ' LEU . 13.5 mt -63.95 154.18 82.38 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.55 0.69 . . . . 63.55 110.968 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -17.11 37.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 75.45 112.336 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -20.36 56.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 70.1 110.903 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.14 2.04 31.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 52.05 112.475 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.415 ' HD2' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -95.12 140.31 22.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 75.12 110.837 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 124.94 11.59 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 72.44 112.382 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -69.66 -33.39 72.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.25 110.889 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -66.3 -33.71 76.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 73.43 110.843 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -77.91 -34.0 51.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 54.35 110.868 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.663 HD22 HD11 ' A' ' 3' ' ' LEU . 4.7 mp -73.69 -48.99 28.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.899 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.3 mm -54.94 -43.19 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.1 111.107 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -67.89 -34.33 76.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 72.21 110.899 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HB3' HD11 ' A' ' 110' ' ' LEU . 4.1 mtpp -71.33 -49.46 42.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.34 110.907 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.511 ' CE1' HD21 ' A' ' 110' ' ' LEU . 45.4 m-85 -58.62 -26.74 64.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.883 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 87.0 m -61.37 -21.66 64.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 72.1 111.129 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.26 -7.33 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.101 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.848 HD11 HD22 ' A' ' 110' ' ' LEU . 41.5 mt -103.54 4.02 35.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 75.2 110.939 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.03 -150.62 18.77 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.728 . . . . 73.25 112.494 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.1 19.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 73.12 112.352 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -61.63 129.6 41.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 71.2 110.929 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -76.56 139.16 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 54.14 111.161 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -83.75 113.08 20.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.881 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -52.08 -53.2 45.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 60.35 110.847 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.94 -137.83 13.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 70.43 112.484 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -167.72 -176.17 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 73.31 110.927 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t 62.06 30.4 17.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 34.51 110.921 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 39.45 41.73 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 70.45 110.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -52.27 157.67 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 53.21 110.861 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -111.16 26.54 10.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.31 110.925 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -135.18 161.09 36.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.899 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -110.87 135.59 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 75.42 110.904 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 23' ' ' ILE . 6.9 t80 -93.37 147.38 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.904 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -147.97 138.83 23.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 74.5 110.878 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -106.85 113.46 26.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 70.3 110.924 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 62.1 m -105.32 102.87 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 72.45 110.901 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -104.75 90.42 3.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 71.3 110.927 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.31 -71.63 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 63.3 111.058 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.39 145.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.24 111.103 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.6 p -79.53 133.32 36.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.866 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.751 HG12 ' CE2' ' A' ' 54' ' ' TRP . 18.6 m -58.45 -39.39 74.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 74.24 111.093 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -179.72 -177.1 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.859 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.42 22.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 74.04 111.131 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 16.8 mttm -66.88 -58.42 9.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 73.53 110.959 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.0 Cg_endo -69.77 179.25 3.84 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 43.33 112.341 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -65.9 159.58 68.73 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.557 0.694 . . . . 55.1 111.111 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.78 -23.68 30.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 74.44 112.331 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.86 -25.91 59.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.892 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HG2' ' HB3' ' A' ' 47' ' ' ALA . 5.7 ptpp? -105.91 17.71 23.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 70.2 110.933 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.47 159.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 64.51 110.887 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CD ' HD21 ' A' ' 75' ' ' LEU . 27.2 mt-10 -136.11 156.68 48.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 65.25 110.834 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -144.17 146.7 32.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.833 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.751 ' CE2' HG12 ' A' ' 42' ' ' VAL . 93.6 m95 -81.13 138.6 35.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 72.45 110.889 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.525 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . -166.21 166.29 38.7 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 70.31 112.461 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.9 p-90 -116.1 125.44 52.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 75.23 110.946 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -74.29 151.87 39.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 74.12 110.946 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 36.4 ttp -140.81 112.88 7.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -113.42 113.7 25.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 61.14 110.877 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.626 HD13 ' CE2' ' A' ' 67' ' ' PHE . 3.4 pp -119.22 156.6 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 44.44 110.892 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -131.24 111.58 12.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 55.22 110.878 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.89 126.37 17.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 54.42 111.093 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -178.26 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.898 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -52.96 -50.16 64.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 71.01 110.883 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.15 25.76 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.891 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.679 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 28.2 mtp180 -144.46 177.48 8.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 72.24 110.895 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.626 ' CE2' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -137.6 133.27 34.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 75.12 110.869 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.1 t -138.36 138.84 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 73.51 111.092 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -126.14 171.92 10.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 72.33 110.941 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -129.51 160.75 32.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 61.21 110.866 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -107.54 120.53 42.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.939 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -135.88 145.16 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 72.11 110.904 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -117.22 155.34 29.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.99 -152.38 19.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.723 -0.751 . . . . 64.34 112.48 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.616 HD12 ' H ' ' A' ' 76' ' ' PHE . 15.7 tp -140.67 143.61 35.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.846 0.355 . . . . 65.2 110.939 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.616 ' H ' HD12 ' A' ' 75' ' ' LEU . 30.1 t80 -104.72 113.25 26.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 64.42 110.869 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -97.39 170.11 9.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.852 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.62 -16.65 62.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.916 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.17 -9.8 59.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.9 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.54 16.65 71.97 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 30.51 112.484 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -103.13 121.45 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 70.34 110.886 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -55.74 124.8 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 75.2 110.914 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.7 m -137.87 111.81 8.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 74.35 111.183 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.1 m -77.58 131.03 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 64.41 111.133 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.565 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.6 OUTLIER -148.21 157.88 42.05 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 75.22 111.157 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 152.3 69.24 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.699 2.266 . . . . 64.52 112.335 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.472 HG21 HG23 ' A' ' 93' ' ' VAL . 43.9 mm -96.12 115.22 34.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 71.32 111.117 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -91.13 150.34 21.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 64.13 103.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.05 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -54.26 -27.87 37.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 65.55 111.171 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -53.58 -35.43 60.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 73.22 110.922 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.8 t -78.48 -45.76 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 73.43 111.135 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.472 HG23 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -52.61 -33.18 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 64.1 111.124 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.32 -36.42 83.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 62.21 110.9 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -72.1 -34.77 68.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.854 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.525 HD11 ' HA2' ' A' ' 55' ' ' GLY . 3.9 mm? -68.27 -36.16 78.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 75.34 110.902 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.622 ' HA ' HD23 ' A' ' 100' ' ' LEU . 92.5 mt-10 -69.45 -38.9 77.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 53.43 110.91 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -71.53 -36.48 71.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 71.55 110.887 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.3 p -65.31 -46.37 80.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 73.31 111.171 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -62.24 -34.04 75.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 64.4 110.919 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -69.31 -45.13 70.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.841 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.59 -29.12 63.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.913 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -58.15 -35.22 71.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 71.34 110.828 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -70.11 -32.44 70.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.827 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -58.25 -48.98 78.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 64.33 110.83 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.495 ' HG3' HD22 ' A' ' 19' ' ' LEU . 12.8 ptmt -74.05 -32.54 63.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 73.11 110.9 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.615 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -59.2 -35.51 73.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 54.55 110.931 179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -59.58 -49.02 79.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 74.15 110.836 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -56.32 -45.83 80.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 53.01 110.899 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.848 HD22 HD11 ' A' ' 19' ' ' LEU . 4.8 tp -58.59 -51.61 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 71.5 110.909 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 118' ' ' LEU . 4.6 mp -62.52 -32.26 73.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.941 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 26.0 mt -68.01 -29.89 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.23 111.157 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.7 t -73.24 -24.63 60.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 61.31 110.873 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.1 ptp -104.61 -1.06 26.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 75.32 110.856 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 63.09 34.71 13.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 73.32 110.871 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.34 114.79 29.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 65.04 110.922 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.679 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -60.7 159.42 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 64.44 111.165 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.442 ' HB2' HD23 ' A' ' 111' ' ' LEU . 49.0 tp -124.95 135.48 52.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 74.03 110.911 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -145.5 160.16 45.8 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.614 0.721 . . . . 73.14 110.896 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 170.99 15.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 75.43 112.284 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.79 151.82 23.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.877 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.63 -24.63 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 72.32 110.87 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -95.89 26.39 4.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 60.53 110.848 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -91.06 110.81 22.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 71.13 110.861 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -81.45 -173.94 4.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.899 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -98.69 37.5 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.867 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -132.98 69.61 78.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 72.22 110.861 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 156.83 62.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.721 2.28 . . . . 74.32 112.324 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.585 HG11 ' HG2' ' A' ' 97' ' ' GLU . 85.3 t -60.26 134.51 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.43 111.162 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -83.96 98.02 9.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 61.42 110.941 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.98 -31.21 72.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 74.43 110.937 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 m -95.69 52.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 55.41 110.813 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 65.41 111.112 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.873 0.368 . . . . 74.23 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -75.77 160.67 29.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 72.11 111.17 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.21 153.9 79.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 70.21 110.913 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -17.35 37.46 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 73.24 112.321 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.05 -20.46 55.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.41 110.86 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.17 0.27 31.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.733 . . . . 72.42 112.523 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 139.74 22.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.607 0.718 . . . . 62.15 110.863 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 124.63 11.27 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.636 2.224 . . . . 64.01 112.383 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -42.5 71.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 53.44 110.881 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.1 p -61.47 -31.05 71.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 62.52 110.84 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -77.72 -43.66 30.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.874 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mp -68.17 -48.65 64.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.12 110.905 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.8 mm -54.84 -45.83 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 64.0 111.124 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -68.15 -34.13 75.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 72.43 110.882 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.688 ' HB3' HD11 ' A' ' 110' ' ' LEU . 22.5 mtmm -68.99 -47.64 65.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.925 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.464 ' CE1' HD21 ' A' ' 110' ' ' LEU . 30.4 m-85 -58.86 -30.55 67.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 74.42 110.912 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.7 m -61.01 -21.46 63.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 74.12 111.149 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.61 -8.92 59.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 73.11 111.096 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.042 HD11 HD22 ' A' ' 110' ' ' LEU . 13.9 mt -104.91 4.14 31.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.959 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.62 -148.55 14.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.713 -0.756 . . . . 52.13 112.461 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 167.33 24.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.252 . . . . 71.11 112.363 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -62.82 146.46 52.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.919 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 34' ' ' PHE . 5.1 mp -97.19 144.73 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 51.32 111.104 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 -77.74 93.84 4.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 72.34 110.873 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.9 160.59 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 62.44 110.857 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -160.13 175.9 36.88 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 72.35 112.466 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -118.98 122.16 41.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 61.43 110.852 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.4 m 55.77 27.1 10.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -101.06 -38.51 8.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 71.13 110.891 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -169.62 161.42 9.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 64.24 110.89 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -111.73 28.48 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.923 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.1 tpp85 -122.01 160.86 24.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 74.24 110.831 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -103.52 123.24 46.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.926 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 23' ' ' ILE . 6.7 t80 -93.28 149.36 21.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 71.13 110.904 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -150.89 139.01 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 71.11 110.878 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -107.01 113.05 26.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 75.43 110.825 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 68.6 m -101.74 98.6 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 43.22 110.863 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.4 mt -111.07 107.01 16.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 71.15 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -107.15 -63.18 1.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 74.42 111.104 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.653 HG21 HG13 ' A' ' 92' ' ' VAL . 2.7 m -134.9 154.57 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 54.44 111.105 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.0 p -90.83 144.94 25.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.893 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 52' ' ' GLU . 6.2 p -81.26 -31.08 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.185 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -177.54 149.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 74.41 110.892 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.561 HG23 ' CZ ' ' A' ' 51' ' ' ARG . 9.5 p -127.81 1.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 61.42 111.147 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 3.0 mptt -51.33 -58.21 11.44 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.575 0.703 . . . . 74.32 110.901 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.1 Cg_endo -69.8 168.74 20.73 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 73.24 112.344 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.53 160.04 1.09 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.567 0.699 . . . . 72.22 111.121 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.76 -23.94 30.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 74.01 112.316 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -63.53 -25.49 68.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.896 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -112.05 17.17 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.561 ' CZ ' HG23 ' A' ' 44' ' ' VAL . 3.7 tpp85 -68.27 145.0 54.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 72.24 110.87 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.719 ' O ' HG12 ' A' ' 42' ' ' VAL . 74.1 mt-10 -137.04 145.43 44.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.863 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -129.65 152.52 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.12 110.901 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.553 ' HD1' HG23 ' A' ' 40' ' ' VAL . 52.2 m95 -80.97 150.4 28.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.905 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -179.89 172.16 43.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 75.31 112.494 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -125.41 110.08 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 72.13 110.89 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -52.2 146.68 8.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.931 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.663 ' SD ' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -127.7 111.58 13.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 65.03 110.867 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -114.3 112.83 23.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 64.23 110.877 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.663 HD22 ' SD ' ' A' ' 58' ' ' MET . 2.5 pt? -135.09 158.66 43.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.931 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -138.02 110.98 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.928 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.96 113.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 71.21 111.123 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -77.4 178.11 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.913 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -49.67 -49.22 48.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 63.02 110.847 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.21 15.93 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.882 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -134.78 169.28 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 43.45 110.885 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -129.36 149.82 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 70.34 110.916 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.1 t -125.23 161.54 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 62.41 111.107 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -152.56 145.06 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.04 110.934 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.63 160.73 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 72.03 110.904 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -114.16 120.28 39.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 75.51 110.874 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -135.72 127.42 29.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.912 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -96.71 162.18 13.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.855 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 163.08 -148.52 15.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 73.23 112.49 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.953 HD13 HG21 ' A' ' 85' ' ' VAL . 2.0 tp -127.53 145.67 50.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 72.33 110.889 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -118.63 111.17 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.879 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.35 -175.6 4.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.837 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -76.84 -29.64 55.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 62.42 110.907 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 -4.51 20.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 73.52 110.907 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.77 26.06 11.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 72.41 112.452 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -69.68 130.06 41.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 74.31 110.878 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -75.36 121.32 22.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 53.4 110.905 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.0 m -146.18 129.78 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.23 111.136 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.5 m -97.91 116.63 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 64.02 111.123 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.953 HG21 HD13 ' A' ' 75' ' ' LEU . 2.3 m -140.83 156.59 68.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.626 0.727 . . . . 70.45 111.107 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 156.36 63.59 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.743 2.295 . . . . 74.23 112.325 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.62 145.04 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 54.11 111.104 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.475 ' HB2' HG21 ' A' ' 92' ' ' VAL . 5.2 m-20 -57.77 -177.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 74.35 110.841 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -50.96 169.18 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 61.43 110.895 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 t -52.62 -27.54 17.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.5 111.148 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.404 ' HG3' HG23 ' A' ' 92' ' ' VAL . 9.5 pt-20 -53.49 -41.92 66.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 63.42 110.882 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.653 HG13 HG21 ' A' ' 40' ' ' VAL . 99.6 t -79.32 -48.79 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 65.13 111.129 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.22 -33.18 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 72.41 111.116 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -63.11 -36.55 83.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.872 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.684 ' O ' HG23 ' A' ' 99' ' ' THR . 17.5 tpp180 -64.62 -42.9 95.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 70.33 110.875 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.83 -35.19 79.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 73.51 110.91 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.13 -43.35 98.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.881 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -71.32 -36.26 71.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 70.42 110.922 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.684 HG23 ' O ' ' A' ' 95' ' ' ARG . 76.1 p -67.35 -46.32 73.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 73.15 111.129 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.7 pp -72.37 -35.41 68.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 51.45 110.874 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -68.17 -43.2 78.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.845 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -72.8 -28.38 62.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -57.53 -41.74 81.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.922 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -70.39 -32.55 70.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 64.25 110.926 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.92 -48.58 80.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 75.3 110.895 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.414 ' HG3' HD22 ' A' ' 19' ' ' LEU . 11.5 ptmt -73.8 -32.11 63.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 63.31 110.905 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.744 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -61.62 -35.74 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 71.44 110.908 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -49.16 71.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 64.52 110.938 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.493 ' HA ' HD12 ' A' ' 112' ' ' ILE . 13.9 t0 -56.55 -46.64 80.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.836 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.042 HD22 HD11 ' A' ' 19' ' ' LEU . 7.2 tp -58.55 -51.28 70.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 74.32 110.909 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.881 HD22 HD12 ' A' ' 118' ' ' LEU . 1.0 OUTLIER -61.79 -31.74 71.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 75.13 110.901 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.6 mt -67.59 -29.98 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 60.41 111.155 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.8 t -73.79 -24.94 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 72.35 110.838 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.634 ' HB2' HD23 ' A' ' 116' ' ' LEU . 9.8 ptp -104.77 -2.3 25.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 75.14 110.894 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.96 36.53 10.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 72.05 110.929 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.3 mm? -102.3 115.18 30.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 73.4 110.903 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.32 153.35 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.21 111.074 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.881 HD12 HD22 ' A' ' 111' ' ' LEU . 5.4 tt -129.91 113.69 14.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.948 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -156.22 160.17 30.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 62.22 110.911 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.56 14.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 53.42 112.364 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.3 m -82.28 127.2 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 74.42 110.847 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -14.47 61.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 74.45 110.864 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -111.39 26.06 11.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 61.33 110.897 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -137.21 142.64 42.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.898 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -179.16 114.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.876 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -131.04 -75.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 71.45 110.874 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -175.52 74.48 0.29 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.751 . . . . 64.43 110.9 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 138.6 38.14 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 74.53 112.33 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 29.0 m -54.58 135.42 17.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 64.15 111.137 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -96.49 97.72 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.858 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.57 -26.91 68.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.13 110.934 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.4 t -83.83 58.29 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.05 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 60.25 111.105 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 75.23 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -136.84 159.5 41.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 73.31 111.145 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 9' ' ' LYS . 5.7 mt -74.94 154.43 86.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 75.43 110.891 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -17.21 37.41 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.655 2.237 . . . . 74.44 112.317 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.81 -16.49 58.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 72.04 110.889 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.34 -13.32 33.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 61.03 112.473 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.37 152.75 73.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.652 0.739 . . . . 72.23 110.804 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.633 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.75 124.48 11.13 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.695 2.263 . . . . 63.34 112.331 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' HA ' HD21 ' A' ' 3' ' ' LEU . 26.7 ttpt -69.87 -50.53 41.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.918 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.79 -42.4 71.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 63.34 110.84 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -62.11 -45.52 93.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 74.55 110.9 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.782 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.2 mm? -58.53 -49.12 78.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 72.44 110.913 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.452 HG23 ' HB ' ' A' ' 23' ' ' ILE . 35.2 mm -60.17 -46.13 95.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 70.14 111.115 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -61.68 -41.45 97.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 71.33 110.867 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.734 ' HB3' HD11 ' A' ' 110' ' ' LEU . 40.7 mtmt -67.73 -49.85 60.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 74.04 110.871 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.782 ' CE2' HD12 ' A' ' 12' ' ' LEU . 17.1 m-85 -58.9 -24.63 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 64.3 110.876 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.5 m -66.65 -21.68 66.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 61.44 111.096 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.16 -6.85 57.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 64.2 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.048 HD11 HD22 ' A' ' 110' ' ' LEU . 57.6 mt -102.64 4.11 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 54.34 110.883 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.65 -149.72 16.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 72.14 112.5 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.93 20.19 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 73.24 112.313 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -61.8 134.5 56.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 70.24 110.946 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -79.15 143.2 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 63.33 111.146 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -77.77 96.97 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.844 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -52.02 151.63 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.908 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.78 159.71 34.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.727 . . . . 73.31 112.46 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -92.14 -62.23 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 71.14 110.936 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 p -151.6 155.96 39.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 75.35 110.853 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 39.44 41.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 64.24 110.839 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -109.97 96.74 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 72.33 110.881 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -99.92 27.04 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 74.32 110.859 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -131.84 160.41 35.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 62.34 110.881 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -112.19 129.33 56.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.863 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.427 ' O ' HG23 ' A' ' 23' ' ' ILE . 4.8 t80 -93.25 148.51 21.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 71.04 110.913 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -150.87 117.97 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 64.35 110.894 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -106.89 112.48 25.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.861 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.82 89.02 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 73.43 110.886 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.31 90.42 2.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.899 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 40' ' ' VAL . . . -80.02 -54.17 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.12 111.113 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.67 HG21 HG13 ' A' ' 92' ' ' VAL . 1.6 m -155.73 139.47 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.03 111.104 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 24.7 p -68.11 128.93 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.856 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.35 -34.27 68.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 53.42 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -176.16 146.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 73.11 110.865 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.5 m -125.05 24.75 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.134 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.536 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -66.31 -58.23 10.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.534 0.683 . . . . 63.14 110.865 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.6 Cg_endo -69.81 178.19 4.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.256 . . . . 74.45 112.359 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -58.43 159.86 11.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 63.04 111.09 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.73 -25.48 28.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.64 2.227 . . . . 73.44 112.366 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -63.67 -20.38 65.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 72.32 110.9 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -118.14 17.27 14.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.0 ptt-85 -69.22 143.91 53.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 51.15 110.874 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.754 ' HB3' HD11 ' A' ' 75' ' ' LEU . 7.7 mt-10 -125.91 166.89 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.886 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' O ' HD12 ' A' ' 75' ' ' LEU . 38.5 m-85 -140.09 151.76 45.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 65.52 110.906 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.605 ' HD1' HG23 ' A' ' 40' ' ' VAL . 15.4 m95 -80.95 159.6 24.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.908 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 158.2 174.19 27.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.73 . . . . 71.21 112.468 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -118.94 149.66 41.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.744 0.307 . . . . 73.12 110.918 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -89.44 133.34 34.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.41 110.886 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.736 ' CE ' HD22 ' A' ' 60' ' ' LEU . 11.9 ttt -115.32 112.32 22.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.11 110.894 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.93 113.41 24.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 72.42 110.869 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.736 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -130.26 154.18 47.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 64.2 110.952 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -137.64 110.99 7.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.863 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.91 113.43 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 70.11 111.129 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.59 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -80.84 -174.58 4.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 73.43 110.9 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.59 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 2.0 mt-10 -51.53 -54.62 25.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 63.3 110.924 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.5 41.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.52 110.906 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.769 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 38.2 mtt85 -157.95 179.86 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.861 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 12' ' ' LEU . 1.8 m-85 -143.57 144.51 31.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 53.34 110.853 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.7 t -141.43 140.14 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 62.41 111.1 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -129.74 172.65 11.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 73.04 110.921 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -144.78 159.82 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 75.41 110.89 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -116.74 121.34 41.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.917 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -135.76 132.52 36.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 74.11 110.919 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -97.07 157.39 15.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 63.32 110.896 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.95 -175.42 33.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 75.24 112.45 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 52' ' ' GLU . 17.4 tp -107.6 143.39 36.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 73.03 110.899 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.639 ' H ' HD12 ' A' ' 75' ' ' LEU . 32.2 t80 -110.07 102.27 11.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.918 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -78.59 170.1 17.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.89 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -26.3 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.872 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -78.22 -9.82 59.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.58 15.73 71.12 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 52.15 112.466 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -85.62 126.36 33.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 71.43 110.879 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 16.3 m-90 -52.47 121.79 7.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.927 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.0 m -145.44 106.68 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.145 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 84' ' ' VAL . 18.6 m -84.3 121.95 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 73.13 111.099 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 29.8 m -131.21 153.36 81.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 72.34 111.155 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 142.33 47.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 62.45 112.391 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.1 mm -93.34 115.59 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 42.25 111.087 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -96.48 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 53.51 110.893 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 63.19 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 52.25 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -54.33 -27.94 39.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 61.25 111.18 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -53.71 -35.1 60.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.856 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.67 HG13 HG21 ' A' ' 40' ' ' VAL . 75.9 t -78.67 -45.65 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 72.43 111.103 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -33.22 18.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 64.43 111.125 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.0 -36.83 85.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.878 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -69.53 -33.53 72.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 61.32 110.901 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.63 -34.87 72.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 64.13 110.959 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.01 -36.02 77.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 71.33 110.914 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -71.6 -36.18 70.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 65.21 110.908 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.31 -46.66 76.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 54.11 111.15 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.2 pp -70.49 -34.71 72.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 64.33 110.899 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -66.7 -49.23 66.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 72.01 110.882 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.12 -28.65 62.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.916 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.63 -39.7 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 74.11 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -69.2 -32.6 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.51 110.897 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.57 -47.55 78.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 64.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.422 ' NZ ' HD23 ' A' ' 107' ' ' LEU . 12.9 pttp -69.41 -32.86 72.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 71.14 110.875 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.74 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.46 -35.63 81.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 74.3 110.913 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -43.4 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.853 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -64.99 -44.18 90.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.048 HD22 HD11 ' A' ' 19' ' ' LEU . 9.8 tp -58.27 -51.12 71.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.12 110.95 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.67 HD11 HD13 ' A' ' 118' ' ' LEU . 72.7 mt -61.74 -32.28 72.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 70.43 110.909 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 36.7 mt -70.05 -29.9 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.44 111.126 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.4 t -72.04 -26.08 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 71.52 110.847 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.495 ' HB2' HD23 ' A' ' 116' ' ' LEU . 10.9 ptp -101.99 -1.1 32.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 74.1 110.838 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 64.49 34.51 10.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 71.04 110.909 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.2 mm? -102.36 132.59 48.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 62.42 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.769 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -74.91 158.3 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 52.55 111.109 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.67 HD13 HD11 ' A' ' 111' ' ' LEU . 19.5 tp -129.63 137.75 50.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 75.14 110.931 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -155.72 160.41 30.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 71.1 110.917 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 171.33 14.68 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.687 2.258 . . . . 64.54 112.319 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.6 m -92.91 134.79 34.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.837 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -59.37 -23.22 62.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 73.24 110.889 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.34 -9.27 59.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.839 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -105.21 150.5 25.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.862 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -99.55 -175.75 3.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 71.13 110.928 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -100.28 82.44 2.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.89 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -160.53 68.58 2.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 75.52 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 158.89 55.38 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 64.11 112.366 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 25.1 m -53.86 134.37 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 74.53 111.13 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -90.18 97.52 11.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 65.13 110.868 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.49 -32.33 64.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.904 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 57.0 p -103.8 64.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.893 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 61.51 111.079 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.4 ttm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.83 0.348 . . . . 70.11 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.4 p -75.89 160.5 29.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 70.41 111.174 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.56 153.79 81.89 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 63.22 110.908 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -17.27 37.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 73.03 112.323 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -19.21 54.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 72.41 110.856 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.25 -1.2 31.18 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 60.32 112.478 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.72 150.04 37.35 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 73.14 110.87 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.9 Cg_endo -69.71 126.01 12.83 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 72.02 112.355 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -31.83 70.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.894 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -68.23 -46.86 69.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 43.03 110.83 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -61.97 -32.04 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 74.42 110.828 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.755 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.3 mm? -69.12 -45.97 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.7 -48.84 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 73.14 111.136 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.75 -35.77 81.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.919 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' HB3' HD11 ' A' ' 110' ' ' LEU . 3.8 mtmm -68.03 -49.64 60.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.907 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.755 ' CE2' HD12 ' A' ' 12' ' ' LEU . 12.9 m-85 -62.55 -24.99 67.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 65.02 110.809 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.7 m -60.94 -21.95 63.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 25.04 111.101 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.1 -7.62 58.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 65.43 111.106 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.647 HD13 HD22 ' A' ' 107' ' ' LEU . 46.0 mt -104.67 4.14 32.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.919 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.12 -151.0 19.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 51.32 112.467 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.78 20.57 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 62.34 112.367 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -61.89 122.9 16.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.987 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.432 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.9 mp -69.58 140.12 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 40.21 111.097 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.48 118.81 19.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 71.43 110.851 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -73.63 -51.71 15.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.901 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.64 -179.7 40.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 45.12 112.52 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -115.72 -31.83 5.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 72.23 110.928 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.5 m -87.12 -179.33 6.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -52.84 128.86 28.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.15 110.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.02 78.15 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 72.51 110.829 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -77.07 -54.75 6.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 61.42 110.913 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ptt180 -114.82 160.19 19.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 70.53 110.84 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -97.48 153.89 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.879 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -143.36 121.07 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -118.06 141.4 48.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 60.13 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -106.88 112.46 25.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 72.33 110.882 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 34.3 m -106.54 102.63 12.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 34.24 110.889 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.406 HD22 ' HD2' ' A' ' 53' ' ' PHE . 16.8 mt -73.29 89.8 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 61.34 110.885 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.78 -58.72 2.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 75.45 111.094 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.4 t -129.58 144.38 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 75.31 111.124 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 21.1 t -88.41 122.83 32.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 45.41 110.878 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -57.33 -23.1 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.41 111.096 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 67.29 129.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 63.43 110.898 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.772 HG22 ' HD2' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -149.86 152.17 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 65.54 111.136 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 23.8 mtpt -56.37 -59.27 12.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.551 0.691 . . . . 74.43 110.875 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.772 ' HD2' HG22 ' A' ' 44' ' ' VAL . 53.7 Cg_endo -69.72 -169.04 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.648 2.232 . . . . 64.3 112.363 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -55.36 157.5 6.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.721 . . . . 63.31 111.052 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.78 -32.64 18.09 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.694 2.263 . . . . 42.12 112.321 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -63.52 -19.12 64.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.849 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -84.02 -13.28 53.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.889 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -121.4 154.96 35.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.875 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB2' HD11 ' A' ' 75' ' ' LEU . 4.2 mp0 -94.41 167.27 11.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 63.52 110.848 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HD2' HD22 ' A' ' 38' ' ' LEU . 11.2 m-85 -121.37 165.94 14.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.499 ' CZ3' HD13 ' A' ' 87' ' ' ILE . 18.4 m95 -82.06 136.38 35.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 178.23 126.9 1.03 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.739 . . . . 71.4 112.501 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -88.65 125.8 35.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.8 0.334 . . . . 75.41 110.901 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -84.18 156.66 21.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.943 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.433 ' SD ' HD23 ' A' ' 60' ' ' LEU . 4.0 tmm? -128.02 121.07 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 71.14 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -113.04 116.94 30.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.867 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD23 ' SD ' ' A' ' 58' ' ' MET . 1.5 pp -130.33 159.91 35.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 61.43 110.929 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -130.96 111.97 12.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 74.12 110.877 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.93 135.72 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 62.43 111.063 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -100.44 -173.83 2.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.945 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -53.33 -57.74 9.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 71.52 110.921 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.69 26.96 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.929 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.728 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 26.0 mtm180 -147.34 169.96 18.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.874 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.606 ' HZ ' HD11 ' A' ' 12' ' ' LEU . 1.7 m-85 -126.71 163.07 24.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.865 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -140.0 164.7 29.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 73.52 111.135 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -158.51 143.54 16.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 75.44 110.925 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.81 160.47 35.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 73.24 110.859 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -100.7 113.57 26.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.947 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -135.48 116.8 14.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 75.42 110.918 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.55 ' CE1' HG11 ' A' ' 129' ' ' VAL . 26.1 m-85 -92.04 151.46 20.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.21 110.885 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -175.37 -146.65 5.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 62.52 112.496 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.803 HD13 HG11 ' A' ' 85' ' ' VAL . 4.1 tt -145.41 143.6 30.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 64.15 110.916 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -105.22 115.26 29.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.43 110.904 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.59 -178.99 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.901 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -81.43 -24.21 37.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 65.2 110.924 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -90.42 -10.21 44.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 60.53 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.4 13.91 68.5 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 73.14 112.493 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -85.73 148.82 25.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 43.03 110.888 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -54.84 129.42 37.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.884 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -145.25 108.48 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 65.32 111.145 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 84' ' ' VAL . 17.3 m -84.97 119.91 34.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 53.24 111.148 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.803 HG11 HD13 ' A' ' 75' ' ' LEU . 7.7 p -148.44 133.51 9.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.695 0.76 . . . . 64.24 111.12 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.71 141.69 46.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 74.23 112.38 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.499 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 28.8 mm -73.53 151.19 7.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 64.32 111.136 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.72 -173.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.926 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.96 169.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.947 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -52.42 -27.52 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 71.24 111.155 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -53.45 -42.48 67.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.904 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.7 t -79.97 -48.64 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 75.22 111.145 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.34 -33.04 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 71.3 111.167 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.01 -35.58 78.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 51.13 110.898 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -38.98 79.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.9 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.87 -34.93 72.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 71.34 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -56.65 -36.97 70.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 61.42 110.879 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -68.15 -51.19 48.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 65.44 110.919 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.1 p -63.45 -25.49 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 62.43 111.112 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.606 HD13 ' N ' ' A' ' 101' ' ' ARG . 0.9 OUTLIER -62.19 -54.64 38.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 63.51 110.9 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.606 ' N ' HD13 ' A' ' 100' ' ' LEU . 14.0 tpp180 -71.03 -42.09 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 71.24 110.855 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.99 -29.33 63.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.854 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -68.99 -40.06 79.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 73.01 110.862 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -70.33 -32.75 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.815 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.61 -48.47 81.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 54.23 110.903 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.536 ' HG3' HD22 ' A' ' 19' ' ' LEU . 10.8 ptmt -73.74 -31.58 63.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.894 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.647 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -58.63 -35.67 72.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 61.2 110.853 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -62.14 -46.51 88.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.881 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -56.48 -46.32 80.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.84 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.639 HD22 ' CD1' ' A' ' 19' ' ' LEU . 10.5 tp -58.51 -51.39 70.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 71.45 110.903 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.773 HD21 HD13 ' A' ' 118' ' ' LEU . 5.6 mp -61.62 -32.06 72.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 62.12 110.937 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.0 mt -68.59 -30.05 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.4 111.1 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 t -73.26 -24.47 60.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.865 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 9.2 ptp -104.26 -2.02 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 73.24 110.886 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 63.81 34.86 11.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -102.92 121.44 42.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.909 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.728 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -69.38 159.54 32.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 70.31 111.139 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.773 HD13 HD21 ' A' ' 111' ' ' LEU . 19.1 tp -128.91 139.93 51.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 73.32 110.926 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -145.36 160.48 45.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.646 0.736 . . . . 72.23 110.902 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 171.35 14.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 71.02 112.346 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.7 m -99.93 147.69 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 71.13 110.827 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -67.89 -23.01 65.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 74.54 110.911 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -95.77 26.44 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 64.55 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -91.02 121.67 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 71.52 110.882 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.49 -176.94 2.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 73.34 110.938 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.12 25.61 11.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.876 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -134.2 70.0 73.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.638 0.732 . . . . 74.03 110.872 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 159.05 54.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.646 2.231 . . . . 62.0 112.371 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 131' ' ' LEU . 4.9 m -54.19 141.46 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 63.54 111.077 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -73.96 97.32 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 75.22 110.944 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 129' ' ' VAL . 4.3 mm? -73.7 -35.97 65.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 63.34 110.902 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.0 t -102.31 65.57 0.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 70.1 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.14 111.076 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.2 mmm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 64.21 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p -136.91 159.27 42.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 73.4 111.167 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.72 153.99 95.13 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.593 0.711 . . . . 74.12 110.933 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -23.89 30.09 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 24.2 112.315 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 p -71.12 -16.62 62.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.884 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.47 -8.09 32.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 71.13 112.537 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.466 ' HD2' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -84.57 153.09 61.33 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.586 0.708 . . . . 64.24 110.912 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.641 ' O ' HD23 ' A' ' 12' ' ' LEU . 54.4 Cg_endo -69.69 123.78 10.46 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.735 2.29 . . . . 73.04 112.361 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -71.17 -54.31 11.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 74.11 110.849 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.4 m -54.14 -43.23 70.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.84 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -62.0 -47.42 84.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 64.23 110.86 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.809 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.7 mm? -58.92 -43.98 91.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.852 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -59.52 -48.49 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 71.34 111.13 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.84 -34.17 76.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.962 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -68.31 -52.53 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.894 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.809 ' CE2' HD12 ' A' ' 12' ' ' LEU . 15.0 m-85 -59.09 -25.95 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.864 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 96.1 m -60.64 -21.93 63.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 52.32 111.124 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.13 -8.09 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 71.51 111.056 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.684 HD11 HD22 ' A' ' 110' ' ' LEU . 18.5 mt -104.88 3.86 31.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.883 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.46 -150.7 16.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 64.34 112.466 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.1 22.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 74.05 112.349 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -62.88 121.28 13.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.856 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' H ' HD12 ' A' ' 23' ' ' ILE . 3.9 mp -67.32 140.93 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 74.5 111.139 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -77.96 93.62 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.878 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -93.26 141.43 28.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.912 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.76 -147.32 17.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 61.45 112.487 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.7 tp-100 -53.77 -33.73 56.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 72.11 110.901 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.0 m -52.49 -48.24 66.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 75.52 110.855 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -84.95 116.96 23.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 73.5 110.86 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -98.67 -64.19 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -127.8 -55.46 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 73.43 110.901 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -98.27 138.27 35.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 62.31 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -61.31 145.58 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 61.54 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -130.94 113.85 14.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 61.22 110.872 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -115.03 133.1 56.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 64.31 110.841 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.95 112.32 25.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 33.15 110.896 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -106.76 130.26 54.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 51.25 110.855 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mp -84.31 131.48 34.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.01 110.917 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.502 ' HB3' ' HB2' ' A' ' 54' ' ' TRP . . . -107.06 -64.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.3 111.1 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -150.32 133.49 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 55.15 111.078 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.2 m -67.64 118.55 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 74.55 110.866 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG12 ' OD1' ' A' ' 43' ' ' ASN . 44.7 t -53.28 -36.9 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 64.42 111.115 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.484 ' OD1' HG12 ' A' ' 42' ' ' VAL . 22.1 m120 -153.99 140.35 18.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 71.45 110.932 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.4 p -116.26 -21.43 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.33 111.117 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.64 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 8.7 mtpt -66.43 -52.01 39.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 71.21 110.908 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.2 Cg_endo -69.71 163.72 37.15 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 74.13 112.344 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.81 160.1 1.18 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.603 0.716 . . . . 74.21 111.098 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 -28.62 24.97 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 61.04 112.313 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -80.24 -1.77 42.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 72.53 110.904 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -115.77 -14.06 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.887 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -91.53 159.59 15.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.4 110.823 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.719 ' HB3' HD11 ' A' ' 75' ' ' LEU . 79.1 mt-10 -130.3 166.98 19.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -126.48 140.17 52.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 54.3 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . 23.5 m95 -80.96 157.9 25.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 75.22 110.92 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.29 177.54 38.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.799 -0.715 . . . . 72.22 112.477 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -130.22 115.82 17.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.307 . . . . 74.03 110.893 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -59.01 120.81 9.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 73.1 110.913 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.455 ' HE3' HD22 ' A' ' 60' ' ' LEU . 3.3 ttt -93.07 112.07 23.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 70.31 110.858 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.8 113.52 25.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 64.03 110.887 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.533 HD13 ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -134.57 159.49 41.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 50.23 110.927 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -133.37 111.59 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.892 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . . . -68.83 116.25 9.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 64.21 111.112 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.575 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -88.4 -172.28 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.911 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.575 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 5.9 mt-10 -52.66 -52.4 55.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 55.34 110.909 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.69 25.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.91 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -139.58 145.93 39.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.1 110.838 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -120.37 138.19 53.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.906 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.6 t -121.93 164.27 17.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.4 111.158 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.533 ' CE1' HD13 ' A' ' 60' ' ' LEU . 87.2 m-85 -151.8 161.22 43.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 72.23 110.933 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -148.09 160.87 42.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.877 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -110.61 114.83 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.915 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -135.79 130.35 33.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 74.25 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -91.9 164.34 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 72.05 110.887 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 168.07 -173.79 42.94 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.732 . . . . 40.02 112.495 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 52' ' ' GLU . 0.8 OUTLIER -109.15 131.41 55.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 73.3 110.91 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.639 ' N ' HD13 ' A' ' 75' ' ' LEU . 11.8 t80 -107.03 95.25 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.893 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -72.0 175.76 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 44.31 110.862 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -75.81 -29.19 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 55.35 110.914 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.89 -9.85 41.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 74.41 110.884 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.91 19.5 28.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 64.41 112.481 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -69.79 140.23 53.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 75.12 110.886 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 47.4 p90 -95.3 122.48 38.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 96.4 m -145.73 137.11 24.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 73.22 111.154 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.0 m -98.0 116.08 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 75.22 111.098 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.495 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 0.7 OUTLIER -139.88 158.2 68.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 73.44 111.133 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.52 60.05 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 70.13 112.344 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.443 HG21 HG23 ' A' ' 93' ' ' VAL . 47.6 mm -92.24 146.74 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 45.11 111.165 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -58.49 -174.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 71.02 110.878 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -50.42 167.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.849 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.7 t -53.57 -27.54 26.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.129 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HG3' HG23 ' A' ' 92' ' ' VAL . 19.9 pt-20 -53.56 -42.27 67.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 54.44 110.886 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.411 HG23 ' HG3' ' A' ' 91' ' ' GLU . 90.6 t -79.69 -48.71 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.54 111.15 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.443 HG23 HG21 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -51.23 -33.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 71.11 111.128 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.21 -36.31 81.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 53.34 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.581 ' O ' HG23 ' A' ' 99' ' ' THR . 16.6 tpp180 -73.01 -31.91 64.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.86 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.94 -34.84 73.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.34 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HA ' HD23 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -68.61 -40.95 80.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.856 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -71.65 -36.24 70.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 63.24 110.953 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 95' ' ' ARG . 29.8 p -65.65 -46.47 79.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.093 -0.503 . . . . 73.52 111.115 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.9 OUTLIER -67.03 -34.15 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.94 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -68.57 -44.17 74.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 71.43 110.899 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -72.62 -29.26 63.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.32 110.892 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -58.28 -40.93 83.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.895 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.526 ' NE2' HD21 ' A' ' 118' ' ' LEU . 23.8 t-80 -70.28 -32.57 70.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 74.14 110.808 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.76 -48.8 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 52.11 110.923 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -74.06 -32.15 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 62.33 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.14 -35.72 82.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.915 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.536 ' HG3' HD22 ' A' ' 118' ' ' LEU . 22.0 ttp180 -62.72 -44.02 97.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.929 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.515 ' HA ' HD12 ' A' ' 112' ' ' ILE . 11.7 t0 -55.72 -46.79 77.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 74.34 110.893 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 19' ' ' LEU . 32.2 tp -58.86 -50.0 75.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.918 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.527 ' CD2' HD13 ' A' ' 118' ' ' LEU . 6.9 mp -63.73 -36.23 83.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 75.2 110.875 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.3 mt -60.94 -39.13 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 73.53 111.141 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -22.03 60.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.86 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.3 mtm -95.23 -7.85 37.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.869 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 63.47 41.71 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.857 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -103.47 137.63 41.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.445 . . . . 62.01 110.905 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.27 138.12 57.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.41 111.084 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.536 HD22 ' HG3' ' A' ' 108' ' ' ARG . 5.6 tp -129.55 133.15 47.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 71.43 110.935 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -146.59 159.95 42.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.677 0.751 . . . . 64.32 110.861 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.27 14.76 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.658 2.239 . . . . 51.15 112.327 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.1 m -73.55 138.33 44.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.799 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -58.48 -22.42 54.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 65.35 110.835 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.68 25.86 4.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.816 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -93.27 107.66 19.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.873 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -93.28 -175.71 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 71.02 110.849 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.79 54.04 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 62.54 110.877 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -164.02 68.25 1.56 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.677 0.751 . . . . 71.53 110.886 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 159.13 54.55 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.687 2.258 . . . . 65.03 112.378 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.702 HG23 HD21 ' A' ' 131' ' ' LEU . 7.0 m -53.77 124.27 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.02 111.121 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -66.97 97.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.13 110.902 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.702 HD21 HG23 ' A' ' 129' ' ' VAL . 5.7 mt -73.7 -30.84 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 70.42 110.934 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.4 m -105.39 45.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.847 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 64.0 111.114 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.859 0.361 . . . . 64.11 110.879 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.8 p -119.84 159.76 23.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 74.04 111.112 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.35 153.9 91.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.627 0.727 . . . . 55.13 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -22.54 31.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.238 . . . . 73.02 112.325 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.457 ' OG ' ' HB3' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -72.04 -18.53 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 73.45 110.889 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.35 1.06 31.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.745 . . . . 22.12 112.485 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.52 153.07 40.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 52.32 110.853 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.621 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.3 Cg_endo -69.8 125.04 11.67 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.716 2.277 . . . . 70.3 112.325 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -69.5 -50.56 44.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 63.02 110.872 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.2 p -54.71 -43.7 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 73.21 110.871 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -62.05 -45.72 92.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.2 110.864 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.793 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.0 mm? -58.61 -48.31 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 61.05 110.898 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.78 -43.43 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 64.52 111.141 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.8 mmtt -67.98 -41.68 81.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.929 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.807 ' HB3' HD11 ' A' ' 110' ' ' LEU . 5.9 mttm -65.46 -47.88 74.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 64.25 110.896 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.793 ' CE2' HD12 ' A' ' 12' ' ' LEU . 15.6 m-85 -58.79 -26.03 63.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.898 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.0 m -62.76 -21.38 65.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 71.15 111.128 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.18 -7.3 58.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 64.32 111.088 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.874 HD11 HD22 ' A' ' 110' ' ' LEU . 60.0 mt -104.37 4.23 33.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 74.05 110.928 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.52 -149.39 16.23 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.738 -0.744 . . . . 52.42 112.505 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 168.91 20.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.256 . . . . 74.14 112.336 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -61.92 122.11 14.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.959 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.6 mp -68.06 140.77 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 61.33 111.145 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -86.38 120.59 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.859 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -51.22 -65.41 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 71.34 110.912 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.83 18.08 14.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.789 -0.72 . . . . 25.41 112.526 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 39.42 41.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.75 0.31 . . . . 75.32 110.905 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -142.57 157.51 44.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.55 110.866 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -111.48 -37.53 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.899 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -112.72 89.31 3.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 73.02 110.901 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -163.3 -177.03 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 -98.07 160.24 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.817 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -79.41 135.97 36.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 72.02 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -120.26 123.28 42.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 73.35 110.882 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -120.04 133.1 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -106.8 112.41 25.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 75.12 110.864 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 m -106.72 133.82 50.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.663 HD13 ' CD2' ' A' ' 53' ' ' PHE . 9.6 mt -110.57 97.98 7.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 64.1 110.935 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.3 -71.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 63.33 111.088 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.702 HG21 HG13 ' A' ' 92' ' ' VAL . 1.2 m -125.86 144.0 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 72.53 111.147 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.7 p -84.87 128.2 34.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 72.35 110.854 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.92 -33.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 74.43 111.07 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -130.1 108.58 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 75.31 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.703 HG23 ' CZ ' ' A' ' 51' ' ' ARG . 10.1 p -121.84 -7.54 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.21 111.15 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.519 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 8.2 mtmm -66.38 -58.04 11.26 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 72.22 110.892 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.9 Cg_endo -69.72 177.46 5.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 54.24 112.351 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.43 160.28 1.01 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 34.31 111.094 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.71 -23.36 31.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 73.41 112.364 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -62.79 -24.69 67.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -109.86 16.94 21.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 60.52 110.876 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.703 ' CZ ' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -70.74 146.07 50.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.43 110.906 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -137.09 139.36 41.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 63.14 110.915 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.663 ' CD2' HD13 ' A' ' 38' ' ' LEU . 26.4 m-85 -121.74 146.1 47.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.52 110.903 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.583 ' HD1' HG23 ' A' ' 40' ' ' VAL . 78.7 m95 -81.56 128.62 34.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 61.54 110.923 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -153.68 168.78 32.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 70.2 112.457 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 11.7 p-90 -115.49 155.03 28.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.732 0.301 . . . . 74.42 110.944 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -104.95 116.28 31.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 74.44 110.874 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.5 ttt -108.21 112.74 25.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 62.41 110.908 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -112.75 118.5 35.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 72.12 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD12 ' CE1' ' A' ' 67' ' ' PHE . 0.5 OUTLIER -130.58 155.71 46.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 72.15 110.918 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -137.73 115.92 11.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 63.42 110.854 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.457 ' HB3' ' OG ' ' A' ' 5' ' ' SER . . . -51.22 141.04 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 64.13 111.092 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.06 -170.05 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 75.4 110.872 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.06 -51.45 69.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.2 110.915 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -143.6 25.4 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.928 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.648 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 32.0 mtt180 -146.81 171.26 15.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.837 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.702 ' CE1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -136.68 136.4 39.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 70.2 110.92 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -105.17 164.67 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 42.24 111.141 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -156.96 143.38 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.931 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -147.57 160.58 42.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 71.3 110.881 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -133.06 133.63 43.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.929 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -130.22 145.76 51.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 64.23 110.918 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -91.84 146.41 23.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.903 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.06 -144.06 7.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 43.21 112.486 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 85' ' ' VAL . 9.6 tt -145.35 145.9 31.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.808 0.337 . . . . 73.25 110.96 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.414 ' N ' HD23 ' A' ' 75' ' ' LEU . 72.2 t80 -121.38 120.44 35.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 72.34 110.879 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -97.74 -176.44 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 74.31 110.866 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -77.57 -23.57 49.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 73.35 110.955 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -78.23 -9.7 59.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 70.42 21.35 77.45 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 34.44 112.509 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -91.64 121.46 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.857 0.36 . . . . 74.42 110.881 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -63.0 122.66 16.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 64.53 110.925 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.9 m -142.36 121.4 12.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 71.12 111.143 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.01 131.4 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 61.2 111.142 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 75' ' ' LEU . 21.1 t -145.0 132.76 10.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 72.14 111.107 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.57 48.23 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 65.12 112.345 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.568 HG21 HG23 ' A' ' 93' ' ' VAL . 45.9 mm -92.41 118.64 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 74.21 111.195 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.45 152.88 18.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 64.14 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 63.86 105.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 74.25 110.861 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.1 t -52.93 -28.85 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.11 111.142 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.86 -38.04 64.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.914 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.702 HG13 HG21 ' A' ' 40' ' ' VAL . 92.1 t -78.66 -47.05 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.114 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.568 HG23 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -51.76 -32.89 14.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 42.34 111.161 179.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.87 -34.52 77.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 64.4 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -34.63 63.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 72.51 110.887 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.5 -41.09 73.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.936 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.724 ' HA ' HD23 ' A' ' 100' ' ' LEU . 25.5 pt-20 -69.1 -32.69 72.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.911 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -71.68 -36.4 70.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 61.14 110.873 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -46.41 80.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 75.13 111.143 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.724 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -59.07 -34.2 71.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.892 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.468 ' HD3' HD22 ' A' ' 131' ' ' LEU . 0.7 OUTLIER -69.76 -49.01 57.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.912 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -65.36 -29.5 70.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 45.01 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -66.61 -34.57 78.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.908 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -46.41 67.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 74.4 110.875 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.88 -47.91 81.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.93 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.574 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -63.18 -32.19 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 75.35 110.894 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.476 HD12 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -70.89 -34.38 71.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 52.34 110.902 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -42.77 64.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 53.44 110.885 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.78 -35.81 81.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.83 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.874 HD22 HD11 ' A' ' 19' ' ' LEU . 6.2 tp -70.84 -51.02 29.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 64.43 110.882 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.483 HD12 HD11 ' A' ' 118' ' ' LEU . 59.1 mt -64.03 -41.28 97.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 62.24 110.93 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 30.9 mt -61.2 -36.12 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.12 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.6 t -67.86 -22.92 65.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 73.21 110.885 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 28.4 mtm -95.74 2.73 54.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 73.14 110.895 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 63.5 43.31 5.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 73.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.13 161.35 15.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.903 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.648 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -111.56 159.53 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 62.53 111.127 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.483 HD11 HD12 ' A' ' 111' ' ' LEU . 9.1 mt -120.95 142.61 49.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 54.42 110.938 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -137.33 160.6 64.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 51.5 110.923 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 171.28 14.66 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.757 2.304 . . . . 74.34 112.354 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -101.92 158.27 16.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 71.11 110.879 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.04 -16.66 52.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 54.54 110.865 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -95.45 25.35 4.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.23 110.858 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -111.09 107.55 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 64.1 110.911 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -89.63 -74.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.03 110.906 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.65 -172.8 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 56.91 68.29 2.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.634 0.73 . . . . 71.33 110.891 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 158.99 55.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.272 . . . . 54.04 112.354 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.3 m -54.33 128.46 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 73.21 111.133 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -79.61 97.39 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 63.22 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.468 HD22 ' HD3' ' A' ' 101' ' ' ARG . 3.4 mp -73.74 -35.3 65.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 74.14 110.916 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.2 m -98.68 50.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.837 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 63.24 111.132 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.868 0.366 . . . . 45.32 110.919 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -96.12 161.08 14.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 53.45 111.068 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.547 HD21 ' HD3' ' A' ' 9' ' ' LYS . 21.1 mt -63.37 153.52 82.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.707 . . . . 73.11 110.909 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.17 37.92 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.692 2.261 . . . . 61.32 112.383 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.84 -18.59 60.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 64.24 110.845 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.41 4.29 30.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 63.33 112.467 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.603 ' HD2' HD21 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -94.85 138.0 22.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 70.5 110.811 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 125.87 12.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 73.31 112.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.547 ' HD3' HD21 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -68.88 -41.33 78.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.919 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.2 t -57.86 -30.36 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 74.1 110.846 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -77.88 -49.15 14.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 61.11 110.874 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.821 HD12 ' CZ ' ' A' ' 16' ' ' PHE . 3.8 mm? -58.38 -46.6 86.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 64.53 110.974 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.614 HG23 ' HB ' ' A' ' 23' ' ' ILE . 37.3 mm -61.76 -33.1 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 62.14 111.133 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -68.8 -49.4 58.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.884 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.688 ' HD2' HD13 ' A' ' 12' ' ' LEU . 3.0 ptpt -66.71 -42.08 86.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 70.12 110.925 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.821 ' CZ ' HD12 ' A' ' 12' ' ' LEU . 15.1 m-85 -62.33 -21.31 65.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.905 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.1 m -74.91 -21.51 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 64.21 111.127 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.72 -7.42 58.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 73.13 111.105 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.986 HD11 HD22 ' A' ' 110' ' ' LEU . 10.2 mt -104.3 4.18 33.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 65.11 110.911 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.8 -153.27 20.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 61.32 112.492 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 168.93 20.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 72.3 112.33 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.89 134.63 56.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.3 110.963 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.614 ' HB ' HG23 ' A' ' 13' ' ' ILE . 4.9 mp -80.21 143.87 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 74.14 111.143 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.1 ttt-85 -81.25 93.85 6.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 65.31 110.855 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -53.13 171.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 62.24 110.879 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.58 144.47 11.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 75.02 112.478 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -120.93 51.17 1.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.744 0.306 . . . . 72.02 110.926 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 83.7 m -125.84 -174.95 3.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.922 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -54.19 173.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 73.54 110.897 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -52.45 120.86 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 62.35 110.871 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -141.91 -177.27 5.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 55.24 110.888 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 mtm-85 -101.74 160.4 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 71.5 110.836 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -68.17 156.11 38.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 64.05 110.879 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -128.17 145.39 51.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.53 110.845 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -147.98 134.29 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 72.24 110.874 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -106.73 113.16 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 61.32 110.851 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 t -99.05 125.31 44.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 70.23 110.893 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 mt -109.52 130.88 55.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 73.24 110.917 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.61 -49.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 45.43 111.119 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.658 HG21 HG13 ' A' ' 92' ' ' VAL . 3.2 m -154.01 153.18 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.108 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.5 t -90.6 142.82 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 71.13 110.899 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 52' ' ' GLU . 7.0 p -81.18 -32.78 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 72.51 111.139 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -171.87 138.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 34.54 110.903 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.51 21.3 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 50.22 111.112 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.519 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -66.76 -58.43 9.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 62.33 110.899 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.8 Cg_endo -69.69 -175.96 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 64.11 112.358 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -64.32 160.05 53.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 64.51 111.057 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.8 -35.01 13.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 71.4 112.364 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.05 -25.5 65.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 64.32 110.873 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -110.49 17.09 21.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 74.55 110.87 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -78.79 148.55 32.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 73.21 110.887 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.479 ' O ' HG12 ' A' ' 42' ' ' VAL . 39.0 mt-10 -110.69 146.85 35.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.853 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' O ' HD12 ' A' ' 75' ' ' LEU . 11.3 m-85 -133.07 148.63 52.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 64.12 110.902 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.576 ' HD1' HG23 ' A' ' 40' ' ' VAL . 67.4 m95 -80.65 146.33 31.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.883 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . 179.02 -139.69 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 55.31 112.442 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.3 p-90 -175.69 126.43 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.736 0.303 . . . . 73.41 110.904 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 18.1 p90 -84.99 143.94 28.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.918 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' HD22 ' A' ' 60' ' ' LEU . 2.4 tmm? -125.55 112.96 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 72.25 110.904 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -113.35 116.52 29.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 70.33 110.849 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD22 ' SD ' ' A' ' 58' ' ' MET . 0.9 OUTLIER -130.68 159.45 37.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.912 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -135.63 111.62 9.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.857 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.546 ' HB3' HD13 ' A' ' 3' ' ' LEU . . . -52.48 117.5 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 43.44 111.129 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.94 -169.67 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.937 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -51.71 -54.13 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.904 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 26.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 72.12 110.934 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.792 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 18.1 mtt180 -145.0 161.21 39.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.881 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -120.8 156.81 31.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.874 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -141.07 158.77 43.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 65.04 111.126 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.497 ' CE1' HD11 ' A' ' 118' ' ' LEU . 1.9 p90 -158.48 169.16 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.878 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 151.91 29.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 72.02 110.897 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -113.02 116.43 29.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.943 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -132.08 146.53 52.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 61.24 110.919 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -94.85 148.25 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 70.43 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.76 -146.27 5.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 74.21 112.448 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.581 HD12 ' O ' ' A' ' 53' ' ' PHE . 35.8 tp -144.8 145.86 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 71.11 110.93 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -99.98 98.84 9.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 64.02 110.907 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -78.74 175.89 10.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.24 110.863 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -25.38 44.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 54.33 110.905 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -87.12 -9.65 54.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.65 18.67 74.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 63.01 112.506 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -95.84 135.0 38.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 75.42 110.892 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -52.56 126.05 18.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.946 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -137.3 106.39 6.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 64.4 111.147 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 84' ' ' VAL . 12.4 m -64.4 114.98 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 64.54 111.12 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.424 HG23 ' HD2' ' A' ' 86' ' ' PRO . 7.3 p -148.26 133.17 9.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.643 0.735 . . . . 43.14 111.172 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 85' ' ' VAL . 54.3 Cg_endo -69.68 150.83 69.22 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 74.32 112.388 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.3 mm -96.7 122.22 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 61.33 111.14 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -96.36 155.42 16.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.52 110.839 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 62.93 105.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 72.4 110.91 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -52.58 -28.76 22.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 61.45 111.159 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.92 -34.93 61.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.899 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.658 HG13 HG21 ' A' ' 40' ' ' VAL . 84.1 t -79.89 -33.64 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 70.14 111.083 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.71 -34.58 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.52 111.115 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.14 -29.14 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 99' ' ' THR . 18.7 tpp180 -74.6 -43.07 57.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.897 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.446 HD11 ' HA2' ' A' ' 55' ' ' GLY . 4.2 mm? -68.94 -34.88 76.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.51 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.575 ' HG2' HG11 ' A' ' 129' ' ' VAL . 44.0 mt-10 -56.7 -41.45 77.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 74.12 110.89 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -71.85 -37.22 70.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.4 110.935 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 95' ' ' ARG . 23.8 p -66.31 -46.6 76.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 74.54 111.178 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 100' ' ' LEU . 1.8 pp -71.97 -35.44 69.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.931 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -67.76 -42.35 81.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.4 110.85 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -72.75 -32.49 65.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.874 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.403 ' HE1' HD23 ' A' ' 107' ' ' LEU . 4.8 t80 -61.02 -35.39 76.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.908 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.26 77.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 72.43 110.872 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.7 -47.76 79.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 61.24 110.847 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -32.63 69.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 60.1 110.904 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.686 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -63.31 -35.6 80.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 61.4 110.884 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.505 ' HD3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -65.68 -39.29 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.55 110.902 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -57.87 -46.87 84.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.892 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.986 HD22 HD11 ' A' ' 19' ' ' LEU . 52.2 tp -58.7 -51.23 70.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 70.34 110.903 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 118' ' ' LEU . 6.3 mp -59.8 -31.56 69.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 73.55 110.89 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.505 HD11 ' HD3' ' A' ' 108' ' ' ARG . 26.7 mt -70.89 -29.8 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 53.51 111.105 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.7 t -73.61 -26.4 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 62.34 110.885 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.479 ' HB2' HD23 ' A' ' 116' ' ' LEU . 12.5 ptp -98.69 -1.34 40.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 71.04 110.923 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 64.0 35.13 10.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.479 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.2 mm? -102.08 113.89 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 65.54 110.923 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.792 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -59.44 148.81 31.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 62.22 111.124 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.679 ' HB2' HD23 ' A' ' 111' ' ' LEU . 2.6 tt -129.72 141.69 50.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 73.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -147.48 160.3 39.33 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.668 0.747 . . . . 43.04 110.885 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 171.37 14.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.239 . . . . 43.33 112.359 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 m -75.34 147.61 39.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 21.34 110.871 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -69.25 -18.82 63.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 62.22 110.847 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.67 26.57 9.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.851 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -114.94 138.74 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.874 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -98.03 -179.19 4.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 65.2 110.894 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -94.58 65.7 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 61.41 110.864 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -150.74 67.94 8.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 75.31 110.916 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 158.78 55.84 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 74.43 112.345 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.66 ' O ' HD12 ' A' ' 131' ' ' LEU . 38.0 t -62.13 117.59 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 71.03 111.122 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -69.45 97.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 73.4 110.932 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 129' ' ' VAL . 4.8 mp -73.76 -28.2 61.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 52.32 110.928 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 5.2 t -85.68 61.97 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.852 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.25 111.12 179.875 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.859 0.362 . . . . 73.02 110.845 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.6 p -100.91 159.44 15.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 65.13 111.128 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.5 mt -64.93 153.55 88.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.608 0.718 . . . . 51.02 110.934 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -23.27 31.0 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.717 2.278 . . . . 73.33 112.312 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -17.64 62.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.865 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.39 -4.8 31.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 41.24 112.504 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 150.57 44.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.571 0.7 . . . . 75.24 110.873 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.655 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.5 Cg_endo -69.78 124.19 10.83 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.639 2.226 . . . . 64.1 112.338 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -70.63 -46.52 63.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.863 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -53.91 -46.97 71.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 44.52 110.849 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -62.28 -48.57 79.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 63.41 110.851 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.77 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.6 mm? -59.12 -49.02 79.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.31 110.94 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.7 mm -57.37 -45.53 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 71.12 111.123 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -37.54 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.896 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.715 ' HB3' HD11 ' A' ' 110' ' ' LEU . 5.6 mtpp -67.08 -51.45 54.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 50.12 110.952 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.77 ' CE2' HD12 ' A' ' 12' ' ' LEU . 25.7 m-85 -58.54 -26.65 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.894 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.0 m -63.14 -21.35 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.3 111.145 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.67 -7.9 58.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 54.41 111.121 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.005 HD11 HD22 ' A' ' 110' ' ' LEU . 21.4 mt -105.01 4.27 31.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 61.21 110.942 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.97 -151.71 19.92 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 53.23 112.516 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.98 20.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 73.42 112.378 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -61.76 127.02 29.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 71.03 110.923 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.6 mp -74.89 141.91 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.34 111.094 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -87.57 115.91 25.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.52 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.35 -58.23 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.899 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 100.32 -133.0 11.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 51.35 112.456 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -139.16 -176.38 4.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 74.34 110.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 m -66.51 -170.96 0.11 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.86 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 59.6 95.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 33.03 110.891 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 56.06 83.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 61.53 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -66.38 98.73 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.54 110.885 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -98.61 152.11 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.864 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -96.75 139.59 32.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.899 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 23' ' ' ILE . 9.8 t80 -116.87 141.15 48.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.9 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -134.29 136.37 43.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.87 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -106.77 112.74 25.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 62.21 110.859 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.8 t -94.26 120.39 34.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.925 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.1 mt -109.77 123.26 49.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 73.13 110.93 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 40' ' ' VAL . . . -131.01 -47.0 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 63.03 111.09 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG21 HG13 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -156.9 157.0 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 62.24 111.118 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.93 133.54 33.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 61.52 110.853 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.761 HG22 ' CE2' ' A' ' 54' ' ' TRP . 20.9 t -66.53 -48.65 79.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 74.31 111.121 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -167.45 131.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 65.14 110.904 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -96.08 26.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 64.51 111.13 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.526 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.7 mtpm? -66.86 -58.38 9.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.556 0.693 . . . . 64.15 110.908 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 54.0 Cg_endo -69.76 179.32 3.78 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.66 2.24 . . . . 51.32 112.358 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.549 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -52.35 160.01 1.42 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.598 0.713 . . . . 70.35 111.101 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.549 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 -31.09 21.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 55.52 112.322 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -71.16 -25.62 62.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.91 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -98.86 17.07 20.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 74.24 110.915 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 29.9 ptt-85 -56.65 142.4 39.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 64.32 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -118.27 132.72 56.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.868 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.46 160.09 21.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 74.31 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.761 ' CE2' HG22 ' A' ' 42' ' ' VAL . 45.1 m95 -93.52 149.89 20.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.935 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.43 -145.93 7.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.729 . . . . 63.14 112.52 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -166.41 119.76 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.321 . . . . 74.34 110.916 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -74.8 151.03 39.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.907 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.49 ' CE ' HD22 ' A' ' 60' ' ' LEU . 21.7 ttp -145.72 117.21 8.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 71.35 110.848 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -110.38 114.04 27.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 51.43 110.875 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.49 HD22 ' CE ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -118.42 159.41 23.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.912 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -136.69 117.93 14.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 73.54 110.875 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.61 148.27 5.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.31 111.1 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.416 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -111.26 -176.88 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 75.2 110.933 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 12.5 mt-10 -52.04 -51.69 55.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.905 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.9 30.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.925 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.753 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 55.3 mtt180 -155.24 176.95 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 71.22 110.888 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.96 150.7 51.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -141.04 157.17 45.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 73.11 111.149 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -153.71 167.13 30.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 74.31 110.969 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -132.24 160.53 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.52 110.86 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -106.08 106.47 17.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.897 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -134.51 125.87 28.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 72.23 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -91.85 165.01 13.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 70.45 110.928 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.6 -143.61 6.73 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 73.13 112.5 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.816 HD13 HG11 ' A' ' 85' ' ' VAL . 3.1 tt -145.44 145.56 31.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 74.35 110.917 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -105.9 105.62 15.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 44.5 110.889 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.54 178.26 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 71.21 110.875 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -30.03 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.883 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -105.36 -9.74 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.43 110.92 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.88 18.66 79.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 70.44 112.485 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -73.38 141.0 47.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 63.4 110.913 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -52.2 122.53 8.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 74.12 110.877 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.3 m -145.14 106.34 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.04 111.172 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 84' ' ' VAL . 13.0 m -66.7 114.28 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 74.43 111.105 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.816 HG11 HD13 ' A' ' 75' ' ' LEU . 7.4 p -148.38 133.73 9.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.624 0.726 . . . . 52.21 111.144 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.8 149.38 66.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 72.54 112.335 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.514 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 36.3 mm -84.01 148.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.14 111.114 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.56 -173.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.3 110.891 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -50.2 167.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 72.34 110.892 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 t -52.88 -27.77 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.44 111.167 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -53.67 -42.11 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 54.5 110.865 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.645 HG13 HG21 ' A' ' 40' ' ' VAL . 91.4 t -79.53 -48.75 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 51.31 111.101 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.28 -33.22 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.22 111.152 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -63.02 -35.99 82.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.521 ' O ' HG23 ' A' ' 99' ' ' THR . 21.2 tpp180 -68.45 -40.11 81.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 70.3 110.867 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.72 -34.91 72.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.94 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.795 ' HA ' HD23 ' A' ' 100' ' ' LEU . 4.8 tm-20 -59.38 -37.98 79.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.885 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -70.97 -33.81 70.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.935 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 95' ' ' ARG . 30.1 p -74.4 -30.78 62.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 63.44 111.169 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.795 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.4 OUTLIER -73.17 -37.79 66.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.227 -0.442 . . . . 63.13 110.913 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' N ' ' HG ' ' A' ' 100' ' ' LEU . 15.8 ptm180 -72.39 -38.0 68.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 72.05 110.845 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.55 -38.17 68.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.896 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -60.96 -35.83 77.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.44 110.841 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -40.97 73.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.862 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -69.38 -47.06 65.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 55.32 110.903 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -33.08 70.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.23 110.873 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -34.83 70.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 55.1 110.932 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -38.84 62.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 51.11 110.872 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.1 -36.32 82.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.861 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.005 HD22 HD11 ' A' ' 19' ' ' LEU . 5.7 tp -66.6 -51.12 59.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.878 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' A' ' 118' ' ' LEU . 6.7 mp -62.92 -35.17 79.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 54.1 110.886 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.7 mt -66.64 -30.38 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.4 111.16 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.5 t -73.69 -23.87 59.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 55.42 110.859 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 32.6 mtm -99.35 1.75 44.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 62.35 110.887 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 63.56 33.44 13.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 52.54 110.882 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -104.35 136.04 44.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 52.35 110.932 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.753 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -82.7 153.57 25.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 54.33 111.122 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' A' ' 111' ' ' LEU . 7.9 tt -129.82 141.66 50.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 70.44 110.898 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -134.17 160.31 69.01 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.663 0.744 . . . . 75.15 110.877 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 170.72 15.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 74.25 112.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.82 -179.26 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 54.32 110.842 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -75.07 -33.63 61.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 71.13 110.861 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.25 26.49 4.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 64.04 110.845 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -92.94 152.43 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 65.41 110.895 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 63.23 41.34 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 64.41 110.877 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -126.95 -39.2 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.861 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -170.62 68.35 0.52 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 65.42 110.919 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.14 68.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.662 2.242 . . . . 74.35 112.366 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.406 HG21 ' HG2' ' A' ' 97' ' ' GLU . 35.8 m -69.06 170.37 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 72.03 111.128 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -75.2 98.37 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.43 110.892 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.611 HD13 ' OE2' ' A' ' 97' ' ' GLU . 4.0 mm? -69.19 -25.75 64.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.945 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.6 t -96.2 28.23 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.886 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 72.33 111.143 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.875 0.369 . . . . 73.31 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.8 p -77.68 159.74 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 63.33 111.119 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.729 HD11 HD22 ' A' ' 12' ' ' LEU . 10.6 mt -66.91 153.72 93.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.64 0.733 . . . . 73.13 110.908 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -18.59 37.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.731 2.287 . . . . 43.32 112.35 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -76.36 -14.31 60.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.893 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.55 -21.11 26.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 75.32 112.549 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.54 147.97 87.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 71.12 110.877 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 123.61 10.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.673 2.248 . . . . 73.52 112.382 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -71.57 -55.5 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 63.3 110.865 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.6 t -54.35 -43.54 71.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 74.43 110.853 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -61.27 -36.82 81.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 72.52 110.859 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.729 HD22 HD11 ' A' ' 3' ' ' LEU . 2.0 mp -68.42 -41.0 81.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 45.43 110.861 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.7 mm -55.95 -48.97 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.096 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -34.34 77.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.913 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.814 ' HB3' HD11 ' A' ' 110' ' ' LEU . 17.1 mttp -65.95 -50.2 65.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 62.34 110.9 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -64.64 -22.9 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 44.52 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.4 m -65.56 -22.34 66.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 75.23 111.131 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.95 -8.69 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 74.34 111.114 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.91 HD11 HD22 ' A' ' 110' ' ' LEU . 19.3 mt -105.16 4.03 30.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.943 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.94 -154.16 22.18 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 34.44 112.469 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.7 20.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 73.42 112.364 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -62.11 130.15 44.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.13 110.921 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -77.7 141.76 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 70.5 111.152 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.0 97.54 9.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 53.01 110.845 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -54.12 -73.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 63.21 110.905 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.01 178.63 27.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 55.14 112.509 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -112.08 -25.92 9.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.777 0.322 . . . . 63.5 110.88 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.3 p -54.45 161.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.4 110.926 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.11 47.24 0.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 63.13 110.927 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -95.2 151.45 19.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 74.35 110.868 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -104.1 49.51 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.842 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -129.76 160.17 34.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 63.32 110.914 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -120.1 115.16 23.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.828 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -95.84 144.39 26.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 52.51 110.895 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -139.48 116.48 11.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.898 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -106.91 111.54 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.493 . . . . 74.11 110.899 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 t -107.39 160.46 15.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 73.44 110.915 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.7 mt -110.89 98.26 7.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.918 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.49 -70.93 0.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 64.54 111.087 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.4 t -144.74 151.43 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 61.12 111.093 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.9 t -84.68 116.09 23.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.872 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 52' ' ' GLU . 6.3 p -81.82 -25.17 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 72.41 111.108 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -87.93 118.68 27.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.92 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -150.89 -41.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 62.01 111.129 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 35.0 mttt -66.61 -57.46 12.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 54.02 110.915 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.2 Cg_endo -69.78 178.26 4.76 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.711 2.274 . . . . 71.44 112.291 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.545 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -55.36 159.8 4.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.542 0.687 . . . . 73.51 111.117 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.81 -22.16 32.24 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.645 2.23 . . . . 54.4 112.298 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.68 -17.53 55.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 74.23 110.883 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -99.73 18.16 18.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 74.44 110.914 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.72 121.74 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 64.43 110.876 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.471 ' O ' HG12 ' A' ' 42' ' ' VAL . 72.2 mt-10 -136.96 126.78 25.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.857 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -112.99 149.11 33.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 75.31 110.918 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.729 ' CD1' HG11 ' A' ' 92' ' ' VAL . 52.6 m95 -80.71 141.91 34.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.925 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -143.24 -173.24 14.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 45.13 112.503 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -88.44 -174.97 4.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.696 0.284 . . . . 73.45 110.968 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -170.38 50.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 74.02 110.893 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 48.5 ttp -92.36 115.38 28.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.886 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.14 113.62 27.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.35 110.896 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD13 ' CE1' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -120.73 159.38 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 63.42 110.858 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -132.94 111.02 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 74.32 110.919 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.24 117.11 5.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 71.11 111.114 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.33 -169.4 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 75.14 110.863 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -51.29 -63.24 1.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 72.15 110.863 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.91 40.71 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 63.01 110.92 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.56 174.52 12.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 45.23 110.876 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.61 ' HZ ' HD21 ' A' ' 12' ' ' LEU . 1.2 m-85 -144.5 126.85 15.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 73.52 110.92 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -108.69 164.1 12.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 63.42 111.183 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.652 ' CE1' HD13 ' A' ' 60' ' ' LEU . 83.0 m-85 -151.95 156.21 39.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 75.04 110.893 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -141.81 141.68 33.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 70.5 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -84.84 103.92 14.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 53.34 110.913 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -136.0 146.71 47.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 72.25 110.929 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -109.05 155.59 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 70.21 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -157.11 -166.06 16.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 73.42 112.52 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.494 HD13 HG11 ' A' ' 85' ' ' VAL . 2.9 tt -138.12 145.93 42.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 73.14 110.908 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -99.89 109.83 22.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 70.32 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.27 -179.17 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.855 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -64.33 -26.09 68.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.08 -9.73 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 63.34 110.866 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.68 20.19 75.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 73.41 112.473 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -81.56 148.24 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.813 0.34 . . . . 74.44 110.88 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -63.06 123.23 18.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.43 110.932 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 m -140.88 107.64 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 70.34 111.19 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 84' ' ' VAL . 11.0 m -60.64 114.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 72.32 111.161 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.494 HG11 HD13 ' A' ' 75' ' ' LEU . 7.3 p -148.12 133.32 9.21 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.651 0.739 . . . . 73.23 111.096 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.5 Cg_endo -69.81 146.46 59.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.652 2.234 . . . . 72.34 112.301 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.535 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 41.9 mm -81.83 116.82 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.12 111.162 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -89.19 151.56 22.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 61.31 110.891 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 63.16 105.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.4 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.5 t -54.9 -28.18 48.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.164 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -53.92 -36.31 62.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.898 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.729 HG11 ' CD1' ' A' ' 54' ' ' TRP . 58.7 t -78.79 -46.73 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.14 111.131 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.32 -33.0 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 64.51 111.116 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.85 -36.85 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 54.02 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.697 ' O ' HG23 ' A' ' 99' ' ' THR . 30.8 tpt180 -69.47 -46.72 66.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 72.02 110.873 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.48 -34.7 77.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 51.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.636 ' HA ' HD23 ' A' ' 100' ' ' LEU . 11.0 mt-10 -61.05 -44.22 97.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.886 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -71.93 -39.87 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 75.04 110.946 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 95' ' ' ARG . 71.4 p -60.94 -46.52 90.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 71.04 111.117 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.636 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -61.37 -34.1 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 61.01 110.892 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 -49.13 55.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.02 110.862 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.93 -29.47 70.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 62.52 110.883 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -64.47 -35.21 80.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.862 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -38.03 76.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.01 110.865 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.41 -48.03 77.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.869 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.56 ' HG3' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -72.2 -32.69 67.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 61.04 110.872 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.64 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -59.83 -35.61 75.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 60.05 110.921 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.521 ' HG2' HD11 ' A' ' 112' ' ' ILE . 31.7 ttt180 -59.27 -48.89 79.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 71.45 110.874 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.725 ' HA ' HD12 ' A' ' 112' ' ' ILE . 22.1 t0 -55.8 -44.43 77.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 64.21 110.874 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.91 HD22 HD11 ' A' ' 19' ' ' LEU . 7.0 tp -58.63 -50.6 73.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.921 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.413 HD22 HD11 ' A' ' 118' ' ' LEU . 3.1 mp -63.22 -33.53 75.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 71.24 110.909 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 109' ' ' ASP . 27.8 mt -60.77 -35.74 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 73.1 111.131 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.7 t -73.64 -23.88 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.886 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.464 ' CB ' HD23 ' A' ' 116' ' ' LEU . 13.1 mtm -93.05 -2.45 55.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 74.3 110.868 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 64.25 48.55 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 73.45 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 114' ' ' MET . 4.5 mm? -111.71 161.39 16.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 72.05 110.965 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.492 ' C ' HD22 ' A' ' 118' ' ' LEU . . . -97.91 159.4 14.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 74.23 111.093 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.492 HD22 ' C ' ' A' ' 117' ' ' ALA . 4.5 mm? -121.53 135.76 55.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 60.42 110.929 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -155.81 160.12 31.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.615 0.721 . . . . 62.32 110.934 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.4 14.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 74.3 112.369 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.52 139.25 53.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 75.12 110.847 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.59 -21.31 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 70.44 110.849 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -110.47 26.45 10.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 61.31 110.881 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -122.92 125.01 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 75.3 110.843 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -96.14 -68.97 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 73.51 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.97 103.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.851 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -174.25 68.41 0.31 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.657 0.741 . . . . 65.31 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.38 45.19 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.268 . . . . 71.2 112.351 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.6 HG23 HD21 ' A' ' 131' ' ' LEU . 12.6 m -64.25 137.94 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 70.54 111.166 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -78.23 97.42 5.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 61.12 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.6 HD21 HG23 ' A' ' 129' ' ' VAL . 5.7 mt -73.45 -30.63 63.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 70.43 110.922 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 m -104.41 65.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 71.23 110.89 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 73.45 111.131 179.869 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.819 0.342 . . . . 64.54 110.855 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.0 p -91.25 159.82 15.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 65.3 111.129 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 12' ' ' LEU . 7.9 mt -70.14 153.86 94.99 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.708 . . . . 60.45 110.892 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -17.43 37.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 75.12 112.328 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -19.87 60.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 43.43 110.832 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.57 -1.26 30.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 60.22 112.482 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.21 149.48 36.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 61.23 110.849 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 123.98 10.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.664 2.242 . . . . 62.02 112.396 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HG3' HD21 ' A' ' 3' ' ' LEU . 19.4 ttpt -71.01 -56.83 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 61.4 110.94 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -54.2 -45.46 72.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 61.43 110.843 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -61.57 -34.56 75.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.853 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 3' ' ' LEU . 1.5 mp -73.23 -44.59 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 65.55 110.935 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.43 ' O ' HD13 ' A' ' 23' ' ' ILE . 35.4 mm -55.29 -44.57 75.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 73.33 111.144 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.927 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.709 ' HB3' HD11 ' A' ' 110' ' ' LEU . 9.0 mtpp -67.52 -51.06 55.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.89 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' A' ' 110' ' ' LEU . 31.9 m-85 -59.08 -24.54 63.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.44 110.896 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.3 m -63.91 -22.47 66.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 41.25 111.123 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.91 -7.85 59.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 60.21 111.101 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.892 HD11 HD22 ' A' ' 110' ' ' LEU . 28.4 mt -104.52 4.02 32.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 72.03 110.912 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.39 -152.95 21.58 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 73.34 112.502 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.25 19.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 75.51 112.336 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -61.54 133.48 55.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 74.41 110.918 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' H ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp -79.6 143.88 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 75.34 111.104 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -83.81 93.83 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.877 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -52.0 125.25 14.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 65.51 110.872 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.44 149.35 10.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 60.44 112.49 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -100.49 -43.35 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 75.32 110.919 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 88.3 m -105.71 -62.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.22 110.866 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -86.84 108.66 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 73.22 110.892 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -94.63 38.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.88 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -132.35 26.01 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 62.21 110.9 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -139.94 160.72 39.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.874 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -131.28 112.75 13.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.842 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' O ' HG23 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -93.52 149.06 21.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 62.41 110.907 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -149.04 138.34 21.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 71.42 110.872 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -106.88 112.33 25.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 71.41 110.876 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.477 ' C ' HD23 ' A' ' 38' ' ' LEU . 34.0 m -106.69 115.16 29.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 32.14 110.856 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 37' ' ' CYS . 5.5 mt -111.03 90.05 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.96 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.446 ' HB1' ' HG3' ' A' ' 95' ' ' ARG . . . -81.67 -46.24 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 71.41 111.101 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.856 HG21 HG13 ' A' ' 92' ' ' VAL . 96.9 t -135.64 131.24 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 63.21 111.143 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -90.61 129.67 36.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 51.23 110.898 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.536 HG12 ' NE1' ' A' ' 54' ' ' TRP . 4.7 m -81.23 -4.59 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.4 111.114 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 71.79 164.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 62.14 110.943 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.0 m -93.63 38.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.1 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -67.25 -58.45 8.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 71.31 110.909 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.3 Cg_endo -69.77 -167.38 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.725 2.284 . . . . 73.51 112.306 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -50.14 160.3 0.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.576 0.703 . . . . 43.41 111.083 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.72 -48.42 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.704 2.269 . . . . 71.21 112.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.19 -9.1 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 65.43 110.852 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 6.4 mtpm? -96.53 17.17 16.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 72.42 110.873 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -82.6 117.61 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.847 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.484 ' HB3' HD21 ' A' ' 75' ' ' LEU . 1.7 mt-10 -137.93 167.62 21.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 65.54 110.91 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -127.98 146.47 50.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.887 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.536 ' NE1' HG12 ' A' ' 42' ' ' VAL . 72.5 m95 -80.96 129.65 34.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 72.52 110.92 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.66 -138.68 2.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.709 -0.757 . . . . 70.22 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.0 p-90 -170.6 109.39 0.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.689 0.28 . . . . 74.2 110.96 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -60.01 137.49 58.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 74.51 110.93 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.628 ' SD ' HD22 ' A' ' 60' ' ' LEU . 4.4 tmm? -113.78 111.73 22.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 53.32 110.847 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -114.14 112.49 23.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 75.43 110.848 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.628 HD22 ' SD ' ' A' ' 58' ' ' MET . 2.7 pt? -135.19 159.73 40.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 70.21 110.948 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -125.83 110.67 13.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 64.13 110.883 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.65 114.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 74.15 111.075 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -77.31 169.41 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 73.11 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -49.61 -47.14 49.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.32 110.886 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.82 41.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 70.42 110.926 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.506 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 26.3 mtt180 -164.35 -179.45 6.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 74.11 110.85 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.476 ' HD1' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -138.06 166.4 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.886 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 72.1 p -137.13 154.08 50.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 70.03 111.169 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -152.59 161.07 43.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.923 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.98 160.48 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 71.11 110.867 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -122.31 114.33 20.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.96 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.86 140.84 44.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 73.2 110.901 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -92.08 144.22 25.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 64.4 110.874 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 178.76 -154.07 13.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 35.55 112.478 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.732 HD13 HG21 ' A' ' 85' ' ' VAL . 4.9 tt -135.31 145.53 47.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 64.24 110.954 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -106.1 103.56 13.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 75.1 110.905 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 p30 -89.31 -177.45 5.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.87 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -81.08 -25.71 36.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 53.54 110.891 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -78.41 -9.65 59.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 65.11 110.89 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.95 18.84 74.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 61.04 112.514 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -97.45 155.52 16.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 74.31 110.895 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 46.0 p90 -84.63 128.02 34.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 72.03 110.894 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 33.3 m -144.93 113.15 6.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 74.5 111.171 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.5 m -69.83 117.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 62.25 111.119 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.732 HG21 HD13 ' A' ' 75' ' ' LEU . 1.8 m -137.1 156.9 75.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.609 0.718 . . . . 71.32 111.149 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 140.69 43.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 71.11 112.357 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.479 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 40.8 mm -92.66 147.84 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 74.23 111.163 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.488 ' CB ' HG21 ' A' ' 92' ' ' VAL . 1.4 m-20 -57.99 -174.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 63.34 110.851 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -47.29 161.3 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.899 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.8 t -50.85 -31.28 16.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.31 111.12 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -33.99 52.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 73.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.856 HG13 HG21 ' A' ' 40' ' ' VAL . 88.5 t -79.77 -45.24 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 61.31 111.119 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -33.18 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 63.1 111.136 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -62.2 -37.43 85.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 64.2 110.876 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 99' ' ' THR . 20.3 tpp180 -68.51 -35.43 77.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.901 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.55 -35.64 73.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.938 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.464 ' HA ' HD23 ' A' ' 100' ' ' LEU . 16.5 mm-40 -69.43 -40.06 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.89 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.8 -36.45 70.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 74.3 110.931 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 95' ' ' ARG . 17.6 p -64.97 -46.46 81.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 75.21 111.142 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.9 OUTLIER -66.81 -33.98 76.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.921 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.53 -44.08 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.913 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.21 -29.49 64.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.898 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -64.99 -36.24 83.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.44 110.933 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -69.96 -32.8 71.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 75.2 110.853 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.13 -48.11 46.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 63.35 110.848 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -62.55 -32.28 73.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.887 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.656 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -69.65 -37.06 76.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 61.53 110.928 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -54.67 -46.07 73.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.05 110.882 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.547 ' HA ' HD12 ' A' ' 112' ' ' ILE . 35.7 t0 -56.22 -46.42 79.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.85 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.892 HD22 HD11 ' A' ' 19' ' ' LEU . 9.2 tp -58.64 -51.34 70.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.53 110.857 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.569 ' CD2' HD23 ' A' ' 118' ' ' LEU . 2.0 mp -61.84 -30.98 71.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 44.14 110.943 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.1 mt -68.02 -30.08 46.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 73.13 111.123 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.3 t -74.27 -23.38 59.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 61.13 110.845 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.523 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -108.71 1.89 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 64.31 110.871 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 58.53 43.05 19.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 70.22 110.892 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.523 HD23 ' HB2' ' A' ' 114' ' ' MET . 2.4 mm? -102.42 125.49 49.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.906 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.506 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -89.04 134.64 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.1 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 111' ' ' LEU . 4.3 pp -116.92 140.62 49.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.942 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -147.24 159.88 41.08 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 61.33 110.883 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.01 15.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 72.21 112.366 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.37 130.27 40.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.43 110.904 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -58.86 -22.04 58.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 71.41 110.869 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -95.77 26.2 4.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -130.34 128.51 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.41 110.876 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -81.28 -179.6 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 65.3 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -92.59 132.74 36.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 73.43 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -153.99 73.07 6.43 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.608 0.718 . . . . 63.41 110.874 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 153.82 68.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 74.14 112.311 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 131' ' ' LEU . 8.5 m -113.43 146.88 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.117 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 133' ' ' ALA . 0.0 OUTLIER -83.19 97.49 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 62.31 110.885 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 129' ' ' VAL . 4.1 mm? -73.6 -36.24 65.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.929 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 t -97.27 61.25 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 73.14 110.879 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' ' 130' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.12 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ptp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 70.11 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.8 p -76.88 159.54 29.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 52.01 111.167 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 11.0 mt -66.65 153.74 92.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 54.13 110.959 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -17.38 37.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 42.34 112.323 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.57 -18.85 56.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 72.24 110.86 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.57 1.15 30.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 55.45 112.497 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.6 151.77 39.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 65.34 110.837 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.601 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.78 124.9 11.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.677 2.251 . . . . 45.3 112.333 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -69.73 -47.28 63.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 73.02 110.91 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.6 p -57.57 -43.3 84.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -39.84 93.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 73.44 110.868 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.763 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.8 mm? -64.24 -49.08 73.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 43.51 110.904 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.462 HG23 ' HB ' ' A' ' 23' ' ' ILE . 49.6 mm -61.52 -44.01 97.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 53.21 111.14 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -67.84 -39.74 83.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 73.33 110.89 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HB3' HD11 ' A' ' 110' ' ' LEU . 11.6 mtpp -65.5 -50.14 66.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.34 110.875 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' A' ' 12' ' ' LEU . 17.5 m-85 -59.01 -30.54 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.9 m -58.79 -21.57 56.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 54.22 111.17 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.71 -7.0 58.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 74.11 111.063 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.696 ' CD1' HD22 ' A' ' 110' ' ' LEU . 41.5 mt -104.0 -5.27 22.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 61.33 110.925 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.46 -151.11 11.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 72.33 112.468 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 169.02 19.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 64.11 112.318 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -61.87 132.28 52.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 63.14 110.941 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.9 mp -78.08 143.28 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.139 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -81.86 94.84 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.901 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.26 162.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.864 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.21 -174.11 22.58 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 42.03 112.48 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -119.69 44.99 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 75.4 110.973 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.6 m 58.28 41.36 23.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 51.13 110.869 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -111.91 -37.55 5.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 73.42 110.882 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -135.35 156.31 49.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.846 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -102.04 26.15 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 61.45 110.89 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -110.3 160.88 16.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.31 110.86 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -108.52 137.79 45.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.863 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 23' ' ' ILE . 5.6 m-85 -97.88 148.95 22.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 61.54 110.876 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -149.59 146.78 27.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.911 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.54 112.73 24.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 53.32 110.901 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.51 101.07 10.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 65.34 110.906 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.5 mt -111.02 120.06 41.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.53 110.922 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.514 ' HB1' ' CG ' ' A' ' 95' ' ' ARG . . . -121.04 -50.56 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 63.11 111.123 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -147.06 143.33 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.24 111.143 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.3 p -75.74 135.14 40.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.579 HG21 HD21 ' A' ' 75' ' ' LEU . 86.2 t -64.07 -51.3 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 72.15 111.063 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -173.36 162.25 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.914 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 44' ' ' VAL . 9.2 p -127.77 0.92 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 63.43 111.116 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.53 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 2.2 mtpp -51.16 -58.11 11.63 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.539 0.685 . . . . 74.53 110.892 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.2 Cg_endo -69.85 177.92 5.15 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.666 2.244 . . . . 70.51 112.311 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.67 159.94 1.17 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 54.24 111.127 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.76 -23.8 30.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 62.51 112.284 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -80.03 -25.76 40.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.889 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -96.81 17.12 17.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.888 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -75.01 153.25 38.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 73.52 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.642 ' HB3' HD11 ' A' ' 75' ' ' LEU . 54.2 mt-10 -137.08 156.8 47.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.87 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -129.28 166.85 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 72.03 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.479 ' CE2' HG22 ' A' ' 42' ' ' VAL . 73.2 m95 -103.73 159.84 15.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.24 110.97 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.43 -174.39 40.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 64.54 112.47 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -135.25 125.42 26.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.754 0.312 . . . . 70.2 110.902 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.4 m0 -68.95 135.94 51.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.925 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.472 ' SD ' HD22 ' A' ' 60' ' ' LEU . 4.4 tmm? -115.92 112.66 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.25 110.869 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -113.66 123.73 50.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 64.13 110.871 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD22 ' SD ' ' A' ' 58' ' ' MET . 1.0 OUTLIER -127.78 146.64 50.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 72.4 110.902 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -125.45 111.46 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.13 110.917 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.8 112.06 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 61.34 111.06 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.16 174.43 10.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 71.01 110.944 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -48.97 -48.49 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.21 110.861 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.71 21.02 1.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 62.45 110.899 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.506 ' HG2' ' HB3' ' A' ' 117' ' ' ALA . 58.9 mtm180 -142.35 -179.56 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 74.44 110.904 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.75 144.62 43.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.949 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -141.27 139.94 33.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 73.45 111.139 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -127.19 171.75 11.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.951 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -144.04 160.61 40.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 54.03 110.874 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -128.5 123.92 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 63.11 110.948 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -135.64 138.06 42.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 74.44 110.945 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -91.74 151.5 20.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.923 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.9 -158.87 31.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 71.15 112.493 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 52' ' ' GLU . 0.3 OUTLIER -108.66 129.78 55.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.807 0.337 . . . . 51.24 110.911 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.599 ' N ' HD13 ' A' ' 75' ' ' LEU . 71.6 t80 -105.95 95.27 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 63.23 110.918 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 172.88 9.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.825 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -81.4 -20.59 40.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.902 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.12 -9.69 59.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 62.14 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 75.69 18.54 79.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 64.24 112.501 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -77.18 157.2 31.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 75.42 110.892 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -100.26 121.61 41.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.4 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.0 m -145.77 116.13 7.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 72.03 111.179 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 84' ' ' VAL . 17.2 m -91.64 120.82 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 71.45 111.139 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.427 HG23 ' HZ3' ' A' ' 54' ' ' TRP . 1.9 m -143.17 133.1 11.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.669 0.747 . . . . 72.45 111.073 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 137.37 35.4 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.676 2.251 . . . . 65.22 112.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.7 mt -97.63 112.41 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 70.53 111.109 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -99.07 89.99 4.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 72.51 110.912 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.24 102.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 54.32 110.86 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.8 t -52.55 -28.16 19.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 72.21 111.149 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.73 -42.44 86.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -79.45 -32.04 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 74.24 111.134 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -33.46 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 64.42 111.116 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.3 -33.79 71.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 71.23 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.514 ' CG ' ' HB1' ' A' ' 39' ' ' ALA . 25.2 tpp180 -71.36 -43.63 66.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.834 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.86 -41.59 95.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.953 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' HA ' HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -68.89 -40.46 79.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 71.14 110.864 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -71.6 -36.35 70.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 75.15 110.918 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 95' ' ' ARG . 12.2 p -66.12 -46.91 75.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 62.0 111.157 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.0 OUTLIER -67.42 -34.35 77.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.881 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -44.41 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.888 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.94 -28.94 62.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.894 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -57.84 -35.3 70.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.14 110.853 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -70.28 -32.35 70.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 74.42 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -63.48 -48.33 78.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.12 110.91 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.74 -31.9 70.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 61.13 110.913 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -35.48 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.3 110.851 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -54.39 -50.63 67.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 74.45 110.87 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -56.09 -46.62 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 51.33 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.696 HD22 ' CD1' ' A' ' 19' ' ' LEU . 10.1 tp -59.63 -51.06 71.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.91 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.455 HD13 ' HG ' ' A' ' 118' ' ' LEU . 67.9 mt -62.38 -32.07 72.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 71.34 110.924 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.3 mt -68.49 -29.85 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 62.2 111.122 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.9 t -73.45 -24.65 60.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 71.13 110.841 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.584 ' HB2' HD23 ' A' ' 116' ' ' LEU . 10.4 ptp -103.58 -0.8 29.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.879 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 63.82 34.96 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 61.13 110.875 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 114' ' ' MET . 4.0 mm? -102.31 128.3 48.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 73.42 110.905 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.506 ' HB3' ' HG2' ' A' ' 66' ' ' ARG . . . -85.39 159.63 19.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 73.0 111.09 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.455 ' HG ' HD13 ' A' ' 111' ' ' LEU . 17.7 mt -99.71 143.06 30.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 64.03 110.912 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -152.57 160.26 31.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.633 0.73 . . . . 75.23 110.887 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 170.76 15.81 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 72.34 112.336 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m -112.26 -175.29 2.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.67 -23.55 39.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.66 26.38 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 53.52 110.867 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -91.11 108.58 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.902 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -99.65 -171.39 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.868 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -97.18 -176.18 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 72.43 110.868 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 54.07 68.28 2.89 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.57 0.7 . . . . 74.4 110.888 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 158.79 55.72 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 51.33 112.334 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.27 127.19 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 70.24 111.181 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -66.99 97.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 65.11 110.902 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.8 mt -73.55 -29.6 62.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.963 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -99.37 44.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 62.35 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 65.33 111.1 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.85 0.357 . . . . 72.41 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.7 p -80.93 159.7 24.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 72.24 111.122 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.464 HD11 HD22 ' A' ' 12' ' ' LEU . 7.1 mt -68.98 153.91 95.6 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.592 0.71 . . . . 64.24 110.915 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -18.04 37.49 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.239 . . . . 53.21 112.353 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -19.74 60.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 53.41 110.841 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.53 -1.44 30.77 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 63.32 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.06 150.37 38.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.624 0.726 . . . . 73.02 110.855 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 124.11 10.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 61.13 112.361 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -71.11 -57.19 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.873 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 m -54.07 -45.17 71.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 51.03 110.863 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -61.64 -35.53 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 63.04 110.864 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 3' ' ' LEU . 1.4 mp -73.72 -40.87 63.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 63.32 110.904 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 23' ' ' ILE . 27.4 mm -55.03 -47.76 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 41.53 111.147 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -67.74 -33.69 75.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 65.15 110.867 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.786 ' HB3' HD11 ' A' ' 110' ' ' LEU . 11.5 mttt -65.32 -53.45 43.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 63.31 110.915 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -59.05 -27.03 65.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.875 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 45.1 m -59.54 -21.64 60.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 41.15 111.159 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.29 -7.55 59.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.34 111.104 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.69 HD13 HD22 ' A' ' 107' ' ' LEU . 23.7 mt -104.4 4.2 33.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 74.11 110.936 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.56 -151.5 19.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.692 -0.766 . . . . 65.22 112.455 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.42 19.01 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.724 2.283 . . . . 73.44 112.316 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.12 134.24 56.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 75.42 110.919 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.528 HD13 ' O ' ' A' ' 13' ' ' ILE . 5.1 mp -82.75 145.12 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 70.33 111.168 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.2 mtp85 -83.86 93.5 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 55.34 110.872 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -91.1 -176.83 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.44 110.901 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.17 174.27 46.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 74.01 112.485 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -113.85 36.89 3.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.327 . . . . 72.33 110.917 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 94.6 m -95.52 -176.5 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 52.24 110.896 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -52.57 168.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 71.4 110.894 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -52.58 126.75 20.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.883 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -146.36 176.95 9.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.89 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -105.62 151.45 24.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 75.21 110.865 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -59.31 153.34 19.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -133.94 145.68 49.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.881 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -139.12 116.41 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 64.11 110.834 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -107.78 109.01 20.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 73.11 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 t -110.13 154.45 23.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 55.12 110.884 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 38' ' ' LEU . 12.0 mt -111.63 89.49 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 75.03 110.925 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.53 -72.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.09 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.9 t -145.73 150.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 45.53 111.154 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.6 p -82.07 143.0 31.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 71.42 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.499 HG12 ' OD1' ' A' ' 43' ' ' ASN . 21.9 t -59.09 -45.44 92.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 53.11 111.137 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.499 ' OD1' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -178.58 174.63 1.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 64.41 110.838 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.515 HG12 ' HE ' ' A' ' 51' ' ' ARG . 32.7 m -120.1 16.0 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 54.41 111.109 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 0.3 OUTLIER -66.96 -58.45 9.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.642 0.734 . . . . 73.44 110.913 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.3 Cg_endo -69.81 -173.59 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 75.23 112.305 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -75.57 160.09 80.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 74.34 111.12 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.77 -23.99 30.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 75.45 112.347 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -77.59 -25.42 49.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 72.5 110.91 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -104.71 -14.05 15.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.865 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HE ' HG12 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -51.72 137.18 26.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.851 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.486 ' HB3' HD11 ' A' ' 75' ' ' LEU . 12.8 mt-10 -113.42 156.54 23.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.853 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -134.21 150.08 51.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.11 110.871 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.67 ' CD1' HG11 ' A' ' 92' ' ' VAL . 59.6 m95 -80.42 135.03 36.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.961 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -127.99 178.23 17.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 61.52 112.466 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -62.22 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 73.14 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER 64.37 82.66 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 64.45 110.944 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.536 ' SD ' HD22 ' A' ' 60' ' ' LEU . 6.7 tmm? -122.99 117.34 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 72.11 110.859 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -110.28 119.57 39.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 62.21 110.899 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.536 HD22 ' SD ' ' A' ' 58' ' ' MET . 2.4 pt? -134.31 159.07 42.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 72.31 110.943 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -130.94 111.4 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.51 134.21 40.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.1 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -98.96 -177.79 3.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 75.13 110.955 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -51.09 -51.0 57.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.13 110.87 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.5 26.87 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.31 110.856 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -144.24 172.11 13.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 74.15 110.899 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.33 151.65 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 63.42 110.901 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.5 t -124.78 156.47 37.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 65.23 111.155 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -150.32 149.3 29.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 64.03 110.891 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -140.97 160.06 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 53.25 110.876 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -99.1 104.71 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.919 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -135.19 146.78 49.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 54.31 110.909 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -115.08 138.43 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 64.13 110.878 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -132.24 172.98 20.92 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.688 -0.768 . . . . 54.35 112.462 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.515 HD13 HG11 ' A' ' 85' ' ' VAL . 2.5 tt -145.59 145.96 31.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 73.04 110.929 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -96.85 119.58 35.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.35 110.91 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -97.98 -175.98 3.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.883 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -58.05 -22.85 52.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 71.4 110.927 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -106.48 -10.61 16.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 64.11 110.867 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.09 9.01 59.42 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 73.42 112.526 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.1 155.38 32.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 74.11 110.889 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -52.7 121.79 7.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.945 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -141.18 106.38 5.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.106 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 84' ' ' VAL . 14.7 m -68.42 115.99 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.139 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.515 HG11 HD13 ' A' ' 75' ' ' LEU . 7.3 p -147.05 133.38 9.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.664 0.745 . . . . 72.43 111.121 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.1 Cg_endo -69.78 142.61 48.33 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 54.13 112.32 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.523 ' HB ' HG23 ' A' ' 93' ' ' VAL . 40.0 mm -70.78 114.99 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 53.52 111.143 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -84.57 156.09 21.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.914 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 63.42 105.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.914 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -53.8 -29.33 40.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 75.24 111.138 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -56.59 -39.09 72.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 71.55 110.888 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.67 HG11 ' CD1' ' A' ' 54' ' ' TRP . 85.0 t -78.93 -43.87 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 62.54 111.166 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.523 HG23 ' HB ' ' A' ' 87' ' ' ILE . 0.4 OUTLIER -52.65 -33.31 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 75.24 111.112 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -62.46 -31.5 72.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.899 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 99' ' ' THR . 23.2 tpp180 -74.51 -36.59 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.12 110.869 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.8 -42.68 69.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.916 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.754 ' HA ' HD23 ' A' ' 100' ' ' LEU . 2.8 mm-40 -66.43 -40.16 89.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 60.33 110.887 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -70.82 -38.49 73.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.982 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 95' ' ' ARG . 11.2 p -66.13 -25.33 66.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 63.04 111.094 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.754 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.4 OUTLIER -74.13 -34.87 64.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.31 110.928 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.67 ' HG3' HD11 ' A' ' 131' ' ' LEU . 0.4 OUTLIER -72.8 -49.69 28.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 62.54 110.879 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -58.67 -29.34 66.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 73.25 110.879 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -71.99 -38.87 69.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.35 110.874 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -56.9 -32.72 66.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 72.34 110.848 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -72.58 -47.74 45.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 73.54 110.857 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 ptmt -67.3 -32.54 73.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.886 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.69 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -65.09 -37.83 88.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.22 110.905 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -54.81 -45.67 74.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 72.35 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.496 ' HA ' HD12 ' A' ' 112' ' ' ILE . 19.2 t70 -55.99 -46.79 78.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.884 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.786 HD11 ' HB3' ' A' ' 15' ' ' LYS . 30.0 tp -59.42 -50.85 72.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.882 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.632 HD23 HD22 ' A' ' 118' ' ' LEU . 2.1 mp -61.92 -30.93 71.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 65.55 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 109' ' ' ASP . 18.5 mt -68.18 -30.41 47.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 72.31 111.127 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -22.43 59.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 61.35 110.874 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.679 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -108.93 -0.19 19.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 62.23 110.865 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 59.41 44.87 14.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.5 mm? -102.06 132.77 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 60.24 110.91 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.85 159.94 30.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 55.24 111.128 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.632 HD22 HD23 ' A' ' 111' ' ' LEU . 4.5 mm? -100.65 143.16 31.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 62.32 110.897 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -127.73 153.61 77.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.644 0.735 . . . . 71.53 110.886 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.15 14.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.727 2.284 . . . . 74.32 112.331 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.7 t -88.64 136.56 32.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 73.54 110.916 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -56.61 -24.91 51.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 70.4 110.89 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -103.32 25.87 9.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 64.33 110.897 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -91.5 118.62 30.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.897 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 -121.97 41.87 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 41.35 110.859 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 55.42 42.23 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.866 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -150.13 72.75 9.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.67 0.748 . . . . 74.51 110.903 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.28 62.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.234 . . . . 45.5 112.349 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.52 HG11 ' OE2' ' A' ' 97' ' ' GLU . 31.1 m -61.05 133.63 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.21 111.129 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 111.15 22.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.02 110.927 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.67 HD11 ' HG3' ' A' ' 101' ' ' ARG . 7.3 mt -72.61 -35.05 67.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 72.14 110.936 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.3 m -76.97 64.62 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 43.02 110.907 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 60.32 111.108 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptp . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.89 0.376 . . . . 73.24 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -81.01 159.81 24.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 75.14 111.122 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.39 153.86 95.05 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.721 . . . . 73.24 110.945 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -18.62 37.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 72.2 112.337 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -19.16 59.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 60.54 110.862 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.47 -0.48 30.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 70.45 112.531 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.52 153.64 40.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.572 0.701 . . . . 71.23 110.88 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.664 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.8 Cg_endo -69.75 124.76 11.4 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 61.23 112.312 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -69.78 -51.51 33.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.04 110.902 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.1 t -54.81 -44.81 74.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.847 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -62.13 -41.88 98.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 75.21 110.862 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.721 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.8 mm? -60.83 -41.98 96.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.895 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.9 mm -65.83 -48.27 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 74.12 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -65.03 -37.2 86.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.922 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HB3' HD11 ' A' ' 110' ' ' LEU . 10.1 mttm -66.82 -52.11 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 73.14 110.882 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.721 ' CE2' HD12 ' A' ' 12' ' ' LEU . 11.7 m-85 -58.96 -28.83 66.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 50.53 110.863 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.8 m -58.89 -21.73 58.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.22 111.142 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.76 -7.16 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 53.41 111.073 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.712 HD13 HD22 ' A' ' 107' ' ' LEU . 28.4 mt -102.65 4.13 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.54 110.926 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.99 -148.05 14.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 54.33 112.49 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.14 19.64 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.685 2.257 . . . . 73.22 112.324 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -61.63 125.07 22.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.957 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.8 mp -72.29 141.0 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.14 111.091 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 93.73 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.884 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -95.62 177.19 5.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.892 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.71 97.9 0.13 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 50.22 112.472 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -152.16 141.16 21.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 62.11 110.893 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.8 t -52.25 -31.7 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 54.14 110.866 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -139.37 51.05 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 65.54 110.879 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.2 95.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 52.41 110.843 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -112.89 -27.8 7.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 62.05 110.83 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -125.22 160.98 27.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.879 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -113.03 110.74 20.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 75.11 110.932 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -102.86 132.18 49.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 70.31 110.904 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -118.68 124.96 48.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.886 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.28 112.05 24.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 54.51 110.843 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -107.23 146.23 31.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.909 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.4 mt -92.06 116.56 29.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 60.23 110.872 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.03 -68.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 53.31 111.13 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.0 t -144.16 146.7 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.8 m -68.77 156.65 37.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 52.22 110.871 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 52' ' ' GLU . 92.9 t -70.11 -23.77 25.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.111 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.7 t30 64.85 96.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.896 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.476 HG12 ' H ' ' A' ' 45' ' ' LYS . 1.4 t -141.37 168.72 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 50.12 111.148 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.533 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 12.3 mtmt -48.12 -57.85 9.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 75.34 110.927 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.5 Cg_endo -69.8 152.37 69.06 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.269 . . . . 62.21 112.306 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.47 159.87 1.1 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.56 0.695 . . . . 73.02 111.14 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.71 -23.69 30.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 74.41 112.321 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -63.16 -23.2 67.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.877 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -106.42 1.15 25.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 63.41 110.895 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' CD ' HG21 ' A' ' 44' ' ' VAL . 2.0 tpt180 -121.57 159.95 25.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 71.23 110.855 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 42' ' ' VAL . 1.2 mt-10 -86.38 166.98 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.842 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -120.45 167.39 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 70.21 110.9 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -80.91 142.39 33.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 65.33 110.949 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 179.94 119.62 0.64 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.761 -0.733 . . . . 73.41 112.501 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -76.65 147.1 37.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.737 0.303 . . . . 75.51 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -118.48 116.9 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.898 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.41 ' SD ' HD22 ' A' ' 60' ' ' LEU . 9.8 tmm? -103.67 112.72 25.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 54.24 110.879 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.92 119.89 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.876 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.41 HD22 ' SD ' ' A' ' 58' ' ' MET . 0.8 OUTLIER -117.83 159.19 23.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 72.53 110.921 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -131.15 112.46 12.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.878 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.69 116.83 1.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 61.42 111.087 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -77.38 -178.58 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.912 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -50.17 -54.89 17.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 51.43 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.4 12.76 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 73.32 110.892 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.772 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 24.0 ptt180 -137.49 -179.49 5.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.35 110.899 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.498 ' HD1' HD22 ' A' ' 116' ' ' LEU . 1.9 m-85 -130.98 147.45 52.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.85 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t -122.16 146.58 47.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 74.11 111.124 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.7 ' CE1' HD11 ' A' ' 111' ' ' LEU . 39.9 m-85 -135.33 161.08 36.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 65.43 110.904 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -152.68 160.71 43.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 61.24 110.873 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -111.16 110.93 21.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 63.3 110.936 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -135.89 124.9 24.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.02 110.913 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -92.0 165.88 12.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 71.52 110.884 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 174.32 -147.73 9.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 41.33 112.512 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.7 tt -133.12 146.07 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 74.5 110.934 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -103.99 110.15 22.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 62.43 110.877 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -95.18 -176.84 3.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 71.44 110.889 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -23.16 47.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.34 110.915 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.9 -9.94 59.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.929 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.34 21.59 75.96 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 73.33 112.449 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -94.92 159.35 15.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 74.32 110.855 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 39.7 p90 -88.3 131.76 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.66 131.83 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 63.34 111.128 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.9 m -69.79 119.77 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.106 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 t -143.82 133.06 11.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 73.23 111.112 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 141.1 44.44 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 53.11 112.346 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 25.5 mm -88.62 153.61 3.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 75.11 111.114 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -172.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.895 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.03 168.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.901 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.5 t -51.0 -27.83 8.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 71.13 111.15 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -53.59 -42.92 68.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.45 110.897 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -80.76 -48.37 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 70.54 111.118 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -33.49 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.125 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.26 -36.29 77.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.0 tpp180 -73.23 -31.45 64.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 75.41 110.882 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.1 mt -70.79 -34.7 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.95 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.529 ' HA ' HD23 ' A' ' 100' ' ' LEU . 46.1 mm-40 -65.13 -34.28 78.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.917 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -71.73 -41.39 68.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 74.4 110.922 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.39 -46.64 89.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.074 -0.512 . . . . 75.12 111.129 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -66.25 -34.12 77.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 65.14 110.919 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.05 -43.6 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.21 110.9 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.47 -29.38 64.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 73.01 110.883 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -71.4 -39.63 71.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 54.13 110.854 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -70.76 -32.57 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.55 110.886 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.48 -48.52 74.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 64.24 110.875 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.459 ' HG3' HD22 ' A' ' 19' ' ' LEU . 11.1 ptmt -69.54 -31.82 70.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 72.4 110.901 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.712 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -58.86 -35.53 73.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.922 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.44 ' HG2' HD11 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -58.91 -46.76 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 60.23 110.839 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.407 ' HA ' HD12 ' A' ' 112' ' ' ILE . 6.1 t70 -56.07 -45.93 79.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 64.04 110.884 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 19' ' ' LEU . 22.0 tp -58.85 -49.97 75.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 54.23 110.901 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.7 HD11 ' CE1' ' A' ' 69' ' ' TYR . 58.2 mt -64.24 -37.38 87.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 54.43 110.911 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.44 HD11 ' HG2' ' A' ' 108' ' ' ARG . 25.9 mt -60.73 -38.73 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 61.45 111.127 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -21.08 60.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 63.11 110.842 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.506 ' HB3' HD12 ' A' ' 116' ' ' LEU . 5.9 mtm -94.54 -7.75 40.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 63.05 110.893 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 58.34 42.9 20.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.837 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.506 HD12 ' HB3' ' A' ' 114' ' ' MET . 0.8 OUTLIER -103.2 173.76 6.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 72.21 110.935 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.772 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -96.45 141.46 29.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 73.02 111.073 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.579 HD22 HD12 ' A' ' 111' ' ' LEU . 32.8 tp -129.52 112.58 13.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 75.2 110.876 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -127.16 157.29 72.77 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.654 0.74 . . . . 71.21 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 171.37 14.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.697 2.265 . . . . 53.51 112.305 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.2 t -76.74 136.9 39.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.87 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -58.74 -22.18 57.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.879 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -97.13 25.99 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.869 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -116.21 107.71 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -101.53 -73.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 65.52 110.873 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -162.28 110.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.5 110.884 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -174.8 71.34 0.3 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.613 0.72 . . . . 71.45 110.9 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 152.54 69.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 72.42 112.407 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.575 HG23 ' CD1' ' A' ' 131' ' ' LEU . 18.7 m -104.09 131.31 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 62.21 111.123 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -79.93 97.49 6.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 53.53 110.859 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.575 ' CD1' HG23 ' A' ' 129' ' ' VAL . 10.4 mp -73.64 -30.94 63.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.892 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.8 m -102.14 49.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 62.04 110.864 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 74.43 111.152 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.85 0.357 . . . . 74.02 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.4 p -128.6 160.69 31.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 73.53 111.15 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.841 HD11 HD22 ' A' ' 12' ' ' LEU . 5.4 mt -64.39 153.76 85.53 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.597 0.713 . . . . 73.11 110.949 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -17.16 37.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.711 2.274 . . . . 62.4 112.38 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -77.51 -19.18 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 62.33 110.854 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.69 3.37 30.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.793 -0.718 . . . . 61.22 112.504 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.552 ' HB3' HD12 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -94.66 144.37 27.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 71.25 110.853 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' O ' HD13 ' A' ' 12' ' ' LEU . 53.2 Cg_endo -69.77 124.55 11.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.657 2.238 . . . . 64.04 112.365 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -70.86 -54.46 11.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 65.4 110.895 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 m -54.33 -45.13 72.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 61.44 110.915 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 tpp85 -61.73 -35.07 77.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 72.52 110.885 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.841 HD22 HD11 ' A' ' 3' ' ' LEU . 3.0 mp -70.39 -43.89 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.1 mm -55.59 -42.99 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 65.14 111.138 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -67.7 -43.63 79.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 62.15 110.935 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' HD2' HD11 ' A' ' 110' ' ' LEU . 2.7 mtmp? -62.51 -47.18 85.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 72.05 110.936 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.05 -29.94 67.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.14 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.4 m -65.06 -21.4 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 44.31 111.147 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.78 -7.59 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.4 111.125 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.915 HD11 HD22 ' A' ' 110' ' ' LEU . 14.3 mt -104.67 4.33 32.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 71.44 110.854 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' A' ' 21' ' ' PRO . . . 162.99 -145.7 10.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.708 -0.758 . . . . 64.25 112.453 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' A' ' 20' ' ' GLY . 53.5 Cg_endo -69.77 167.4 24.56 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.684 2.256 . . . . 70.24 112.355 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -62.69 145.92 53.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 62.52 110.933 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.654 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.8 mp -94.84 143.4 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 74.44 111.131 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -71.9 93.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.873 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -100.32 111.57 23.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 52.12 110.912 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.23 -178.66 15.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.783 -0.722 . . . . 62.32 112.458 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.67 -66.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 72.22 110.886 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.3 p -124.88 -41.01 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.55 110.867 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.88 124.07 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.904 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -166.26 135.76 3.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.881 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -113.57 -70.81 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 71.14 110.849 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -112.0 161.05 16.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 45.12 110.859 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -79.74 132.85 36.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 65.42 110.882 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 23' ' ' ILE . 66.9 t80 -93.19 149.29 21.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 71.31 110.858 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -150.39 116.48 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.43 110.845 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -107.2 112.39 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 70.21 110.848 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.9 t -106.77 144.04 33.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.868 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD22 ' CD2' ' A' ' 53' ' ' PHE . 48.2 mt -110.98 132.12 54.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.897 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.65 -55.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 74.52 111.094 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -149.21 146.31 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.128 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 11.5 t -89.49 108.49 19.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 62.14 110.918 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.0 p -81.69 -22.26 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 52.54 111.086 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -113.88 94.56 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 51.31 110.917 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.62 -32.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 54.34 111.153 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.537 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 3.7 mtpm? -50.35 -57.95 11.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 74.42 110.933 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.9 Cg_endo -69.77 -170.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 73.4 112.358 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -69.01 159.53 82.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.564 0.697 . . . . 33.12 111.094 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.79 -23.34 30.77 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.684 2.256 . . . . 51.4 112.349 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.39 -21.22 65.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 74.55 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.57 17.42 13.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 61.14 110.902 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -57.81 153.4 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 74.4 110.827 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -137.03 144.41 43.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.942 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CD2' HD22 ' A' ' 38' ' ' LEU . 5.7 m-85 -124.06 152.78 42.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.858 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.607 ' CD1' HG11 ' A' ' 92' ' ' VAL . 19.4 m95 -87.62 128.33 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 73.32 110.933 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.34 163.62 32.55 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 51.42 112.527 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -114.07 117.25 30.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 73.23 110.866 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -57.94 154.7 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 75.33 110.938 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.5 ttt -139.05 112.45 8.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 74.23 110.852 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -113.48 113.24 24.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 64.21 110.884 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 pp -134.64 159.46 41.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 75.31 110.9 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -137.85 112.25 8.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.939 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . . . -51.09 115.01 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.23 111.116 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -77.6 -178.28 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 73.53 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.67 -64.72 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.842 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.73 41.46 3.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.854 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.757 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 9.7 ptp180 -169.46 -179.5 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 72.12 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -137.92 164.25 29.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 61.1 110.887 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.8 t -141.41 164.32 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 54.31 111.111 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -150.85 143.77 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 73.03 110.925 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -119.47 158.4 26.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.871 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -121.49 107.98 13.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.909 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -135.83 131.4 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 73.03 110.881 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -91.91 152.21 20.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 65.25 110.904 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.08 -136.82 2.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.771 -0.728 . . . . 72.21 112.491 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 tt -145.21 143.45 30.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 75.55 110.932 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -100.19 117.11 33.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 70.23 110.872 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.47 -175.86 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 64.23 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -80.58 -29.49 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 63.14 110.914 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.97 -8.26 17.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.901 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.69 19.72 26.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 74.52 112.515 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -70.42 124.7 24.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 72.2 110.902 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -76.64 121.21 22.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 71.53 110.894 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.0 m -145.87 109.28 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 62.42 111.165 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 84' ' ' VAL . 13.5 m -66.11 114.82 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 73.55 111.084 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.4 m -129.97 152.52 80.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.656 0.741 . . . . 62.21 111.133 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.13 53.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.701 2.267 . . . . 70.53 112.343 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.84 HG21 HG23 ' A' ' 93' ' ' VAL . 43.0 mm -97.18 114.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 71.23 111.091 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -96.73 149.21 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.867 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 64.02 107.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.02 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 t -56.49 -28.09 58.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 63.32 111.17 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -53.37 -34.99 59.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.869 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.607 HG11 ' CD1' ' A' ' 54' ' ' TRP . 98.0 t -81.04 -33.46 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 71.42 111.139 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.84 HG23 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -70.34 -34.47 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.43 111.088 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -27.28 65.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 55.34 110.864 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 99' ' ' THR . 22.5 tpp180 -69.48 -38.3 77.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.882 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.57 -35.3 73.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 72.2 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -56.51 -43.59 79.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.32 110.865 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -72.12 -41.89 66.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 73.11 110.907 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 95' ' ' ARG . 61.9 p -61.29 -47.1 87.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 65.4 111.122 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.419 ' C ' HD12 ' A' ' 100' ' ' LEU . 1.3 pp -70.7 -34.78 72.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.939 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.2 -45.92 72.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 73.1 110.849 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.92 -29.04 62.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 52.32 110.936 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 107' ' ' LEU . 37.9 t80 -57.81 -35.84 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.867 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -70.07 -32.48 70.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.849 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.36 -48.23 82.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 62.04 110.887 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -73.16 -32.13 64.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 60.22 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.73 HD22 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -60.67 -35.64 76.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.953 179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -61.84 -42.4 98.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 65.22 110.833 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 112' ' ' ILE . 37.9 t70 -55.87 -46.57 78.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.871 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.915 HD22 HD11 ' A' ' 19' ' ' LEU . 57.9 tp -59.98 -50.4 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.913 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.542 ' CD2' HD13 ' A' ' 118' ' ' LEU . 6.5 mp -62.75 -32.71 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.952 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 109' ' ' ASP . 19.9 mt -66.72 -36.35 77.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 72.34 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t -73.24 -25.12 60.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 61.11 110.842 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.637 ' HB3' HD23 ' A' ' 116' ' ' LEU . 3.9 mtm -93.77 -8.41 40.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 63.01 110.876 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 64.6 42.51 4.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.871 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.637 HD23 ' HB3' ' A' ' 114' ' ' MET . 3.8 mm? -105.48 135.55 46.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.897 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.757 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -62.94 156.23 25.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 71.4 111.103 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.542 HD13 ' CD2' ' A' ' 111' ' ' LEU . 28.4 tp -129.15 140.39 51.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 53.44 110.886 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.24 157.88 31.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 74.1 110.886 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 171.15 14.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 74.14 112.34 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.7 p -73.64 153.71 40.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 70.22 110.854 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.4 -22.21 64.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 64.41 110.834 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -95.82 26.18 4.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 65.3 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -106.19 107.56 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.5 110.923 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -110.8 -74.38 0.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.915 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -154.78 -179.15 7.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.896 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.16 68.36 1.87 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 61.3 110.916 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.87 55.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 63.23 112.348 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.7 p -55.73 123.16 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 71.24 111.108 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -67.54 97.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 54.14 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.9 mt -73.7 -26.54 60.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.934 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 m -92.45 52.08 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 60.34 110.851 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 65.13 111.068 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.6 mmm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.808 0.337 . . . . 73.54 110.933 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.8 p -76.87 159.91 29.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.11 111.159 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.432 HD11 ' HG ' ' A' ' 12' ' ' LEU . 7.1 mt -70.77 154.23 94.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 63.54 110.915 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -18.77 36.96 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.669 2.246 . . . . 63.54 112.343 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -74.72 -19.36 60.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 50.34 110.86 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.33 0.85 31.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 74.1 112.484 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.87 149.6 37.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.721 . . . . 72.42 110.867 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.608 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.79 125.13 11.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 52.41 112.341 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.9 -49.55 57.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.912 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 p -55.23 -32.8 62.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 52.33 110.837 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.43 -46.45 22.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 71.44 110.886 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.797 HD12 ' CE2' ' A' ' 16' ' ' PHE . 3.3 mm? -58.41 -47.05 85.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 60.3 110.882 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mm -59.03 -44.84 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 40.44 111.11 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -41.25 83.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.921 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.745 ' HB3' HD11 ' A' ' 110' ' ' LEU . 31.6 mttm -64.52 -49.8 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.04 110.859 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.797 ' CE2' HD12 ' A' ' 12' ' ' LEU . 16.3 m-85 -58.97 -29.63 67.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 64.41 110.859 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.6 m -61.76 -21.73 64.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 63.32 111.171 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.02 -8.15 59.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 50.34 111.169 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.822 HD11 HD22 ' A' ' 110' ' ' LEU . 36.0 mt -105.05 3.7 30.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 65.33 110.909 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.1 -151.14 17.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 73.53 112.462 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 168.5 21.37 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.71 2.273 . . . . 53.5 112.325 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -62.39 124.05 19.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 64.51 110.896 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 34' ' ' PHE . 4.8 mp -74.99 134.76 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 73.31 111.15 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -80.39 93.6 6.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 71.21 110.856 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 165.97 24.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.869 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.89 -163.24 31.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 64.14 112.474 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -128.69 80.64 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 74.1 110.901 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.1 m 56.02 28.51 12.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 71.35 110.872 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -118.6 137.06 53.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.34 110.894 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -67.22 121.51 15.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.843 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -173.49 176.89 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.885 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -98.1 154.67 17.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 75.22 110.887 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -61.43 156.42 19.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.913 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' O ' HG23 ' A' ' 23' ' ' ILE . 7.7 t80 -113.9 126.6 55.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 72.12 110.856 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -128.29 120.79 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 74.42 110.843 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -106.96 111.87 24.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.04 110.828 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -107.15 127.37 53.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 70.33 110.856 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.6 mt -110.96 105.49 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 72.3 110.97 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.18 -55.45 2.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 50.3 111.123 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.05 149.8 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.23 111.077 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.75 134.41 34.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 52' ' ' GLU . 6.6 p -81.39 -27.35 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 71.34 111.185 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -174.78 119.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 33.31 110.879 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 44' ' ' VAL . 9.1 t -125.89 -1.43 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 73.11 111.081 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.652 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 18.9 mttt -65.99 -51.74 44.8 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 74.31 110.905 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.5 Cg_endo -69.81 179.13 3.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 61.11 112.346 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -51.46 159.97 1.08 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.69 . . . . 74.13 111.141 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.3 Cg_endo -69.73 -24.0 30.31 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.688 2.258 . . . . 75.12 112.39 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -63.68 -25.6 68.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.908 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -111.68 17.05 20.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.02 110.909 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -88.35 128.7 35.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.03 110.832 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.585 ' O ' HG12 ' A' ' 42' ' ' VAL . 31.5 mt-10 -137.06 163.66 30.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 73.5 110.878 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -131.0 166.25 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 65.12 110.905 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.548 ' CZ3' HD13 ' A' ' 87' ' ' ILE . 27.2 m95 -90.62 159.63 16.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.941 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.8 151.1 6.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 72.13 112.463 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 -103.38 120.13 40.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.744 0.307 . . . . 71.32 110.978 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 22.3 m0 -54.44 134.55 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 75.31 110.926 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.446 ' SD ' HD22 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -121.61 112.1 18.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 74.03 110.909 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.02 124.25 51.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 72.45 110.902 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.786 HD13 ' CE2' ' A' ' 69' ' ' TYR . 0.9 OUTLIER -134.56 148.42 50.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.916 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -137.93 114.97 10.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 75.02 110.865 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.37 113.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 72.22 111.078 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' NE2' ' H ' ' A' ' 64' ' ' GLU . 1.8 mm100 -77.62 -174.4 3.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.912 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.417 ' H ' ' NE2' ' A' ' 63' ' ' GLN . 1.9 tt0 -51.32 -57.85 7.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 75.12 110.875 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -138.6 26.88 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.886 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.782 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 21.9 ptt180 -152.02 -179.57 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 72.15 110.886 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -127.18 151.52 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.879 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.3 t -141.69 138.47 32.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 61.1 111.114 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.786 ' CE2' HD13 ' A' ' 60' ' ' LEU . 17.6 m-85 -126.18 171.22 11.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.01 110.885 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 mmm-85 -142.38 144.36 33.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 74.21 110.896 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -113.9 110.7 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.939 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -129.22 143.83 51.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.895 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -91.73 138.62 31.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 73.05 110.852 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -171.74 -142.08 3.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 65.24 112.483 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.949 HD13 HG11 ' A' ' 85' ' ' VAL . 2.7 tp -145.52 145.83 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 62.44 110.897 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -121.81 110.65 16.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.22 110.892 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.56 169.98 9.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 60.25 110.912 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -81.5 -29.27 33.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 54.12 110.877 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -84.2 -9.79 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 60.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.09 18.16 72.73 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.806 -0.711 . . . . 54.43 112.487 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -86.53 121.39 29.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.796 0.331 . . . . 73.42 110.907 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -66.23 122.56 17.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 71.33 110.921 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.1 m -136.97 106.34 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 62.04 111.154 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 14.9 m -67.45 119.14 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 71.32 111.125 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.949 HG11 HD13 ' A' ' 75' ' ' LEU . 7.2 p -148.28 133.87 9.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.593 0.711 . . . . 51.2 111.151 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.443 ' HD2' HG23 ' A' ' 85' ' ' VAL . 53.6 Cg_endo -69.82 140.4 42.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.27 . . . . 75.22 112.342 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.548 HD13 ' CZ3' ' A' ' 54' ' ' TRP . 35.2 mm -64.85 148.38 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 72.5 111.176 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.05 -173.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.32 110.914 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -49.86 168.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.877 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.0 t -50.7 -29.35 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 61.5 111.182 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -55.15 -41.46 71.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.887 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.3 t -81.46 -31.86 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 74.33 111.113 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -34.75 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 71.43 111.191 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -71.26 -27.65 63.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 63.5 110.934 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -69.96 -45.25 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 64.55 110.866 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.77 -35.2 72.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.954 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -56.95 -33.89 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.01 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -68.99 -47.94 64.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.894 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.4 p -63.18 -35.57 80.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 34.15 111.136 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 101' ' ' ARG . 2.2 tt -57.89 -44.2 86.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.95 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.407 ' N ' HD23 ' A' ' 100' ' ' LEU . 1.6 tpt180 -69.06 -45.33 70.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 43.32 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -62.64 -29.44 70.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 64.24 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.9 -41.61 91.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -70.38 -32.64 70.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 73.24 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.19 -48.23 44.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 60.23 110.896 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -62.44 -32.13 72.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 70.02 110.888 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.589 HD22 HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -69.54 -35.48 75.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.907 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.531 ' HD3' HD11 ' A' ' 112' ' ' ILE . 0.0 OUTLIER -54.32 -46.96 72.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.91 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.498 ' HA ' HD12 ' A' ' 112' ' ' ILE . 25.4 t0 -55.72 -46.88 77.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 55.41 110.915 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.822 HD22 HD11 ' A' ' 19' ' ' LEU . 11.8 tp -61.54 -51.87 66.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.886 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 107' ' ' LEU . 1.1 mp -59.46 -32.48 70.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 52.11 110.906 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.531 HD11 ' HD3' ' A' ' 108' ' ' ARG . 23.0 mt -63.28 -30.15 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.01 111.155 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.6 t -69.54 -30.19 67.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 62.44 110.877 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.679 ' HB2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -98.22 -5.84 32.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 43.12 110.897 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 63.7 48.64 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 60.34 110.869 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 114' ' ' MET . 3.5 mm? -102.95 173.93 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 60.23 110.89 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.782 ' HB3' ' HB2' ' A' ' 66' ' ' ARG . . . -104.19 144.71 31.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 62.15 111.091 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.579 HD13 ' HE1' ' A' ' 69' ' ' TYR . 17.2 tp -129.74 117.33 20.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 70.4 110.897 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -147.45 159.97 40.3 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.674 0.75 . . . . 65.22 110.867 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.4 14.54 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 71.14 112.369 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.7 p -73.36 133.13 43.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 71.13 110.866 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -62.76 -17.02 60.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 62.52 110.894 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -91.98 13.89 17.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 74.05 110.922 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -94.81 130.87 41.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.91 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -99.14 -175.03 2.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.905 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -70.78 -173.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.869 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 63.09 70.54 0.73 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.651 0.739 . . . . 74.42 110.915 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 158.99 55.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 54.31 112.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.479 ' O ' HD12 ' A' ' 131' ' ' LEU . 8.9 p -54.18 128.91 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 64.35 111.121 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -79.1 97.84 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 45.42 110.886 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 129' ' ' VAL . 5.4 mp -73.64 -26.03 60.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 65.14 110.935 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 16.0 m -103.92 52.17 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 63.24 110.879 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 31.44 111.091 179.904 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.83 0.348 . . . . 74.33 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.5 p -136.9 154.28 50.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 64.3 111.114 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD21 ' HG3' ' A' ' 9' ' ' LYS . 3.8 mt -75.74 155.02 85.29 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.585 0.707 . . . . 74.15 110.902 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 3' ' ' LEU . 54.0 Cg_endo -69.77 -17.44 37.51 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.664 2.242 . . . . 71.25 112.336 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -75.57 -20.99 58.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.884 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 109.29 3.2 31.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 52.42 112.516 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 149.16 36.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 62.53 110.864 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.647 ' O ' HD23 ' A' ' 12' ' ' LEU . 53.7 Cg_endo -69.77 124.78 11.41 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 72.1 112.34 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HG3' HD21 ' A' ' 3' ' ' LEU . 37.7 tttt -70.06 -52.2 25.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.884 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 p -54.18 -44.2 71.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 52.4 110.862 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -61.72 -45.7 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.865 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.807 HD12 ' CE2' ' A' ' 16' ' ' PHE . 2.8 mm? -58.01 -41.95 84.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 61.43 110.916 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mm -59.89 -45.63 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.13 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -68.03 -39.0 83.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.877 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.482 ' HB3' HD11 ' A' ' 110' ' ' LEU . 13.9 mtmt -64.96 -51.0 64.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 55.51 110.878 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.807 ' CE2' HD12 ' A' ' 12' ' ' LEU . 16.8 m-85 -59.1 -30.2 67.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 74.43 110.903 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.1 m -59.77 -21.94 61.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 62.31 111.148 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.94 -7.41 58.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 75.12 111.127 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.82 HD11 HD22 ' A' ' 110' ' ' LEU . 69.3 mt -104.61 4.46 32.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 65.14 110.923 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.99 -152.16 17.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 63.31 112.493 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 169.16 19.6 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.71 2.273 . . . . 63.35 112.346 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -61.78 125.59 24.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 75.41 110.931 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 23' ' ' ILE . 5.1 mp -77.97 143.14 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 74.52 111.112 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -85.41 127.69 34.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 73.43 110.831 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -58.37 -61.29 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 72.23 110.873 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.75 174.11 32.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.734 -0.746 . . . . 72.44 112.478 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -110.56 -28.04 8.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 73.33 110.918 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.5 m -70.54 151.43 45.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 52.24 110.899 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -119.27 159.98 23.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.889 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 52.26 61.99 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 71.43 110.86 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -141.37 -178.15 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.864 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -98.05 141.78 30.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.899 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -57.32 148.48 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 54.13 110.876 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -144.13 128.48 17.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 70.35 110.894 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.72 156.15 32.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 62.33 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.74 111.61 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 75.15 110.874 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 73.8 m -107.56 82.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.58 HD22 ' HD1' ' A' ' 53' ' ' PHE . 6.9 mt -84.5 134.74 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 71.53 110.895 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.66 ' HB1' ' HG2' ' A' ' 95' ' ' ARG . . . -121.58 -50.3 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.108 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -142.12 148.52 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 42.54 111.083 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.7 p -89.32 154.11 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 71.32 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.696 HG12 ' CE2' ' A' ' 54' ' ' TRP . 19.1 m -80.53 -30.69 12.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 70.24 111.121 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -178.6 154.45 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 75.31 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 44' ' ' VAL . 9.7 p -128.55 1.89 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 63.31 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.528 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 1.6 mtmp? -51.52 -58.28 11.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 61.23 110.906 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 45' ' ' LYS . 53.4 Cg_endo -69.78 -172.35 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.229 . . . . 70.45 112.331 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.726 ' HB3' ' HB2' ' A' ' 50' ' ' LYS . . . -51.65 160.05 1.14 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 52.21 111.101 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.74 -48.5 0.71 Allowed 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.706 2.27 . . . . 73.21 112.339 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -80.24 -1.44 40.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.911 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.726 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 8.2 mtpm? -107.95 17.1 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 63.03 110.896 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 48' ' ' PRO . 17.3 ptt180 -110.73 158.38 18.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 63.44 110.848 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' OE1' HD21 ' A' ' 75' ' ' LEU . 4.1 mt-10 -113.42 166.95 11.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.858 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.58 ' HD1' HD22 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -143.29 148.56 36.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 72.14 110.88 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.696 ' CE2' HG12 ' A' ' 42' ' ' VAL . 88.0 m95 -80.87 159.9 24.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 71.13 110.926 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.757 ' HA2' HD11 ' A' ' 96' ' ' LEU . . . 152.74 160.41 9.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.43 112.5 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.622 ' CD2' HD12 ' A' ' 100' ' ' LEU . 10.9 p-90 -125.33 133.52 52.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 75.44 110.898 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -83.37 173.19 11.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 71.34 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.22 111.4 12.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.884 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.28 129.46 56.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 73.21 110.892 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.735 HD13 ' CE2' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -136.45 159.69 41.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 63.42 110.94 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 68' ' ' THR . 3.6 tt0 -128.65 111.18 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 55.11 110.893 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.14 112.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 74.45 111.064 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -78.05 -176.65 4.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 73.12 110.898 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.52 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.899 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.86 41.72 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.33 110.921 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.74 ' CB ' ' HB3' ' A' ' 117' ' ' ALA . 16.5 ptt180 -168.43 -179.76 4.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.861 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.418 ' HD1' HD12 ' A' ' 116' ' ' LEU . 1.8 m-85 -130.67 152.69 49.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 73.01 110.929 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 61' ' ' GLU . 9.4 t -134.73 142.18 46.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 71.03 111.149 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.735 ' CE2' HD13 ' A' ' 60' ' ' LEU . 47.1 m-85 -133.57 172.23 13.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.926 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -152.97 160.61 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 74.22 110.842 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -119.15 110.83 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 74.41 110.92 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -136.12 132.67 36.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.23 110.934 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CE1' HD13 ' A' ' 100' ' ' LEU . 9.8 m-85 -91.76 164.86 13.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 62.51 110.888 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.74 -162.82 34.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.74 . . . . 54.31 112.506 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.709 HD13 HG21 ' A' ' 85' ' ' VAL . 1.3 tt -145.33 145.7 31.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 62.54 110.891 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -94.67 121.24 36.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.12 110.856 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.71 169.98 10.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 73.33 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -81.0 -25.35 37.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.908 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -78.41 -9.76 59.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.928 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 74.08 18.5 79.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 60.31 112.476 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -103.23 139.27 38.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.849 0.357 . . . . 75.33 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -51.96 121.81 7.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.41 110.912 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.8 m -145.61 106.29 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 71.44 111.164 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.408 ' O ' HG23 ' A' ' 84' ' ' VAL . 17.3 m -93.82 120.7 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.422 . . . . 73.43 111.108 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.709 HG21 HD13 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -128.56 157.82 73.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.608 0.718 . . . . 72.44 111.135 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 145.31 56.66 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.738 2.292 . . . . 72.53 112.342 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.412 HD13 ' CE3' ' A' ' 54' ' ' TRP . 35.0 mm -87.32 116.23 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 71.14 111.155 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -89.24 149.85 22.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.04 110.835 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.1 113.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -52.09 -31.85 32.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 73.41 111.119 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.48 -36.03 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.881 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.422 ' O ' HD23 ' A' ' 96' ' ' LEU . 96.4 t -79.96 -32.91 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 73.34 111.169 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.0 -34.63 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 70.44 111.109 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.41 -29.06 64.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 65.32 110.864 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.66 ' HG2' ' HB1' ' A' ' 39' ' ' ALA . 21.3 tpp180 -73.53 -39.88 64.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.852 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.757 HD11 ' HA2' ' A' ' 55' ' ' GLY . 4.1 mm? -69.12 -41.8 76.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 62.24 110.912 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.494 ' HG3' HD23 ' A' ' 131' ' ' LEU . 33.4 tt0 -66.52 -36.92 83.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 73.51 110.891 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -60.54 -50.4 73.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.947 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -39.49 63.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 64.13 111.157 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.747 HD21 HG21 ' A' ' 129' ' ' VAL . 0.4 OUTLIER -62.36 -51.33 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 70.01 110.939 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -60.52 -39.34 87.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 73.22 110.859 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -72.95 -28.8 62.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.891 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -48.27 80.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 75.31 110.863 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -55.1 -40.69 70.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 73.53 110.862 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -72.04 -47.22 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 64.21 110.92 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -32.58 72.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 72.4 110.879 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.691 HD22 HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -70.92 -35.8 72.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.921 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -45.55 72.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.876 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 112' ' ' ILE . 11.1 t70 -56.03 -46.04 78.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 64.25 110.87 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.82 HD22 HD11 ' A' ' 19' ' ' LEU . 12.0 tp -58.84 -50.63 73.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.924 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.724 HD21 ' OH ' ' A' ' 69' ' ' TYR . 72.5 mt -63.54 -37.68 88.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 41.52 110.88 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 109' ' ' ASP . 25.2 mt -60.72 -38.78 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 62.23 111.099 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -73.82 -20.51 60.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 52.13 110.874 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.501 ' HB3' HD23 ' A' ' 116' ' ' LEU . 6.4 mtm -96.84 -8.11 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 71.4 110.855 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.93 38.77 8.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 73.33 110.908 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' A' ' 114' ' ' MET . 3.4 mm? -103.28 135.99 43.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 63.44 110.909 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.74 ' HB3' ' CB ' ' A' ' 66' ' ' ARG . . . -67.87 136.11 53.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 64.33 111.093 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.482 ' HB2' HD13 ' A' ' 111' ' ' LEU . 27.0 tp -129.62 143.06 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 63.11 110.957 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -155.44 160.05 31.18 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.651 0.739 . . . . 63.31 110.867 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 171.34 14.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 74.42 112.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.0 m -57.05 179.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 52.12 110.879 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -67.44 -31.98 72.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 65.11 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -111.81 26.3 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -130.64 152.67 49.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 62.43 110.848 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -114.36 179.4 3.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 62.11 110.886 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -71.3 88.78 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.843 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -164.64 160.73 15.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 72.01 110.906 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 143.8 52.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.675 2.25 . . . . 75.54 112.375 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.747 HG21 HD21 ' A' ' 100' ' ' LEU . 6.2 p -55.34 114.4 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 72.41 111.136 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -96.79 96.53 8.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.909 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.494 HD23 ' HG3' ' A' ' 97' ' ' GLU . 3.2 mm? -74.31 -36.09 63.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.888 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.1 t -95.35 65.06 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.845 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.482 . . . . 70.33 111.082 179.906 . . . . . . . . 0 0 . 1 stop_ save_